CAS 98-56-6 MFCD00000627-4-Chlorobenzotrifluoride 对氯三氟甲苯 -LabNovo

4-Chlorobenzotrifluoride 对氯三氟甲苯

CAS 98-56-6 MFCD00000627

化学结构图

SMILES: FC(F)(F)c1ccc(Cl)cc1

化学属性

Mol. Formula	C7H4ClF3
Mol. Weight	181
Density	1.353
Refractive index	1.4450 to 1.4490
Boiling Point	136-138
Melting Point	-36
Flash Point	43°C(lit.)
TSCA	Yes
Solubility	29 PPM (23 ºC)
Stability	对热敏感
Danger-Level	乙类

别名和识别编码

Chemical Name	4-Chlorobenzotrifluoride
CAS Number	98-56-6
Synonym	P-(TRIFLUOROMETHYL)CHLOROBENZENE 三氟 4-Chloro-alpha,alpha,alpha-triflu { p-Chloro(trifluoromethyl)benzene 4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE {Chemical 4-CHLOR-ALPHA,ALPHA p-(Trifluoromethyl)chlorobenzene (p-Chlorophenyl)trifluoromethane 对氯三氟甲基苯 P-CHLORO-A,A,A-TRIFLUOROTOLUENE Oxsol 100 1-Chloro-4-(trifluoromethyl)benzene alpha,alpha,alpha-trifluoro-4-chlorotoluene 4-trifluoromethylchlorobenzene Toluene, p-chloro-α,α,α-trifluoro- p-chlorobenzotrifluoride para-chloro-alpha,alpha,alpha-trifluorotoluene 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE 4-Chloro-α,α, α-trifluorotoluene P-CHLORO(TRIFLUOROMETHYL)BENZENE 1-氯-4-(三氟甲基)苯 4-氯三氟甲苯 4-CHLORO-A,A 对氯三氟甲苯 1-chloro-4-(trifluoromethyl)benzene 4-Chlorobenzotrifluoride {uni Trifluoromethyl-p-chlorobenzene 4-Chlor-benzotrifluorid p-chloro-α,α,α-trifluorotoluene {uni_hambur p-Chlorotrifluoromethylbenzene 1-chloro-4-trifluoromethyl- {uni_ {Chemicalb 4-chlorotrifluoromethyl p-Chloro-α,α, α-trifluorotoluene {Che {Chemblink} 4-氯三氟甲苯三氟甲基氯对氯三氟甲苯;1-氯-4-(三氟甲基)苯;4-氯-α,α,α-三氟甲苯;PCBTF 三氟-4-氯甲苯 1-Chlor-4-trifluormethylbenzol 4-CHLOROTRIFLUOROTOLUEN p-chlorotrifluoromethylbenzene (p-Chlorophenyl)trifluoromethane 1-Chlor-4-(trifluormethyl)benzen 4-氯,三氟甲苯
EC Number	202-681-1
Beilstein Registry Number	510203
MDL Number	MFCD00000627
PubChem Substance ID	7394
Merck Number	2126
Reaxys-RN	510203
Chemical Name Translation	对氯三氟甲苯
LabNetwork Molecule ID	LN00008668
InChI	InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

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产品应用

A benzene derivative; displays mutagenic and toxic activity.

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R10 Flammable 易燃
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H226 Flammable liquid and vapour 易燃液体和蒸气
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSXS9145000

Packing GroupIII

UN Number 2234 UN 2234 3/PG 3

Hazard Codes 3 Xi,N

Hazard Class3

Storage condition Flammables area 储存温度2-8℃ 0-10°C

Warnings 危化品目录(2015)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 11500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(5),49,1984

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 22 gm/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevan

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 20 gm/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(5),49,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 13 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(5),49,1984

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Embryo
DOSE/DURATION           : 1 gm/L
REFERENCE :
   AISSAW Annali dell'Istituto Superiore di Sanita.  (Istituto Poligrafico e
   Zecca dello Stato, Piazza Verdi, 10 Rome, Italy)  V.1-    1965-
   Volume(issue)/page/year: 18,123,1982

Restrict 危险品

其他信息

图谱信息:对氯三氟甲苯(98-56-6)核磁图( 13 CNMR) 对氯三氟甲苯(98-56-6)质谱(MS) 对氯三氟甲苯(98-56-6)Raman光谱对氯三氟甲苯(98-56-6)核磁图( 1 HNMR) 对氯三氟甲苯(98-56-6)红外图谱(IR1)
灭火剂:二氧化碳、砂土、泡沫
对氯三氟甲苯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0305 4-氯三氟甲苯 4-Chlorobenzotrifluoride 25G 131元 2014/06/02 C0305 4-氯三氟甲苯 4-Chlorobenzotrifluoride 500G 657元 2010/06/21 108732500 对氯三氟甲苯 4-Chlorobenzotrifluoride 98% 250 ML 565元
下游产品:氟磺胺草醚 --> 对三氟甲基苯胺 --> 氟西汀 --> 氟担菌宁 --> 氟乐灵 --> N-(2-氯-6-氟苄基)-N-乙基-2,6-二硝基-4-三氟甲基苯胺 --> 2,6-二氯-4-三氟甲基苯胺 --> 4-氯-3,5-二硝基三氟甲苯 --> 三氟硝草醚
MOL 文件:98-56-6.mol
毒性分级:低毒
用途三:本品用作氟乐灵、乙丁氟
Alfa Aesar:4-氯三氟甲苯,98+% 4-Chlorobenzotrifluoride, 98+%(98-56-6)
储运特性:库房通风低温干燥; 与氧化剂、食品原料分开储运
用途一:用作农药、医药、染料等中间体
Hazard Note:Flammable/Irritant
方法二:由对氯甲苯经侧链光氯化、液相氟化而得：氯化：将对氯甲苯投入光氯化反应器中，加热至120-150℃，在日光灯照射下通氯反应。每隔10-15min取微量反应液进行气相色谱分析。当对氯三氯甲苯含量大于90%后停止反应。产物减压蒸馏得对氯三氯甲苯。收率为90-95%。氟化：将对氯三氯甲苯投入氟化反应釜，按摩尔比加入4-5倍的无水氟化氢。升温后在1.9-2.4MPa下反应，直至反应压力不再上升时为止。反应过程放出的氯化氢气体用碱吸收，反应物经中和、水蒸气蒸馏得粗品。再经常压蒸馏得沸程为138-140℃的对氯三氟甲苯液体。收率为80-90%。
类别:易燃液体
急性毒性:口服-大鼠 LD50: 13000 毫克/公斤; 口服-小鼠 LD50: 11500 毫克/公斤
Sigma Aldrich:98-56-6(sigmaaldrich)
上游原料:氯 --> 氢氟酸 --> 对氯甲苯 --> 色谱 --> 对氟甲苯 --> 4-氯三氯甲苯
水中溶解度:29 ppm (23 C)
Acros Organics:4-氯三氟甲苯 4-Chlorobenzotrifluoride, 98%(98-56-6)
海关编码:29036990
爆炸物危险特性:与二甲基亚磺酸钠反应放出大量热量, 可爆炸
可燃性危险特性:明火可燃; 受热分解有毒卤化物气体
方法一:其制备方法是将对氯三氯甲苯加入氟化反应器，并将冷凝器通冷冻盐水冷却，将计量的液体氟化氢用干燥空气从钢瓶压到氟化反应器，然后加催化剂，关调节阀，搅拌，升温反应，反应产生的氟化氢伴随挥发的氟化氢和有机物冷凝回流，冷凝回收的液体氟化氢存于回收槽，反应结束后，氟化产物对氯三氟甲苯进入蒸馏釜，在真空系统下升温精馏得产品。
用途二:对氯三氟甲苯是除草剂氟乐灵、乙氧氟草醚、三氟羧草醚、氟磺胺草醚、乙羧氟草醚、乳氟禾草灵等的中间体。
MSDS 信息:三氟-4-氯甲苯(98-56-6).msds
TCI Shanghai:4-氯三氟甲苯 4-Chlorobenzotrifluoride,>;98.0%(GC)(98-56-6)
外观性质:无色透明液体。

4-Chlorobenzotrifluoride 对氯三氟甲苯

CAS 98-56-6 MFCD00000627

化学结构图

化学属性

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化学结构图

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