CAS 725-89-3 MFCD00000388-3,5-Bis(trifluoromethyl)benzoic acid 3,5-双三氟甲基苯甲酸 -LabNovo

3,5-Bis(trifluoromethyl)benzoic acid 3,5-双三氟甲基苯甲酸

CAS 725-89-3 MFCD00000388

化学结构图

SMILES: O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

化学属性

Mol. Formula	C9H4F6O2
Mol. Weight	258.12
Melting Point	142-143°C
Density	1.420
TSCA	No
Boiling Point	223.9±40.0 °C at 760 mmHg

别名和识别编码

Chemical Name	3,5-Bis(trifluoromethyl)benzoic Acid
CAS Number	725-89-3
Alfabeta Name	BISTRIFLUOROMETHYLBENZOICACID 35()-,
MDL Number	MFCD00000388
EC Number	211-970-1
Beilstein Registry Number	2058600
PubChem Substance ID	12889
Synonym	3,5-Bis(trifluoromethyl)benzoic acid {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Bis(trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {}
Reaxys-RN	2058600
Chemical Name Translation	3,5-双三氟甲基苯甲酸
Wiswesser Line Notation	FXFFR CVQ EXFFF
InChIKey	HVFQJWGYVXKLTE-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00116079
Canonical SMILES	O=C(O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
InChI	InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)

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安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

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；
S37 Wear suitable gloves 戴适当手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Risk Statements

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

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。
P264+P265
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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。
P302+P352
P302+P352+P332+P313+P362+P364
P304+P340
P305+P351+P338
P305+P351+P338+P337+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
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
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSDG4448020

Hazard statements

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 dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

3,5-双三氟甲基苯甲酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 B1420 3,5-双(三氟甲基)苯甲酸 3,5-Bis(trifluoromethyl)benzoic Acid 10G 733元 2014/06/02 B1420 3,5-双(三氟甲基)苯甲酸 3,5-Bis(trifluoromethyl)benzoic Acid 25G 1440元 2010/06/21 214280250 3,5-双三氟甲基苯甲酸 3,5-Bis(trifluoromethyl)benzoic acid 98% 25 GR 1955元
下游产品:3,5-双(三氟甲基)苯乙腈
MOL 文件:725-89-3.mol
Hazard Note:Irritant
Sigma Aldrich:725-89-3(sigmaaldrich)
MSDS 信息:3,5-Di(trifluoromethyl)benzoic acid(725-89-3).msds
TCI Shanghai:3,5-二三氟甲基苯甲酸 3,5-Bis(trifluoromethyl)benzoic Acid,>;96.0%(T)(725-89-3)
Acros Organics:3,5-Bis(trifluoromethyl)benzoic acid, 98%(725-89-3)
Alfa Aesar:3,5-二(三氟甲基)苯甲酸,98% 3,5-Bis(trifluoromethyl)benzoic acid, 98%(725-89-3)
图谱信息:3,5-双三氟甲基苯甲酸(725-89-3)红外图谱(IR2) 3,5-双三氟甲基苯甲酸(725-89-3)核磁图( 1 HNMR) 3,5-双三氟甲基苯甲酸(725-89-3)核磁图( 13 CNMR) 3,5-双三氟甲基苯甲酸(725-89-3)红外图谱(IR1) 3,5-双三氟甲基苯甲酸(725-89-3)质谱(MS)