CAS 4198-90-7 MFCD00221716-3,5-Dimethyl-4-hydroxybenzonitrile 3,5-二甲基-4-羟基苯甲腈 -LabNovo

3,5-Dimethyl-4-hydroxybenzonitrile 3,5-二甲基-4-羟基苯甲腈

CAS 4198-90-7 MFCD00221716

化学结构图

SMILES: Cc1cc(C#N)cc(C)c1O

化学属性

Mol. Formula	C9H9NO
Mol. Weight	147.17
Melting Point	123-127°C
TSCA	No
Boiling Point	310.6°C at 760 mmHg

别名和识别编码

Chemical Name	3,5-Dimethyl-4-hydroxybenzonitrile
CAS Number	4198-90-7
Alfabeta Name	HYDROXYDIMETHYLBENZONITRILE 435---,
MDL Number	MFCD00221716
Synonym	2,6-Dimethyl-4-cyanophenol (Impurity) {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4-cyanophenol (Impurity) {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN	2574734
Beilstein Registry Number	10(4)681
PubChem Substance ID	20176
Chemical Name Translation	3,5-二甲基-4-羟基苯甲腈
InChIKey	WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Wiswesser Line Notation	QR B1 F1 DCN
LabNetwork Molecule ID	LN00166519
InChI	InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
Canonical SMILES	CC1=CC(C#N)=CC(C)=C1O

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安全信息

Warnings IRRITANT

RTECSDI4359000

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；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

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
R22 Harmful if swallowed 吞咽有害
R25 Toxic if swallowed 吞咽有毒
R32 Contact with acids liberates very toxic gas 与酸接触释放出毒性很高的气体
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
R36 Irritating to eyes 刺激眼睛

Hazard Codes T T;Xn T,Xn

UN Number UN 2811 6.1/PG 3 2811

GHS Symbol

WGK Germany3

Precautionary statements

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。
P332+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P301+P310
P305+P351+P338
P301+P312+P330
P302+P350
P337+P313
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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+P312+P362+P364
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H300 Fatal if swallowed 吞食致命
H302+H312+H332

Signal word Danger

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 2,201,1960

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

图谱信息:3,5-二甲基-4-羟基苯甲腈(4198-90-7)质谱(MS) 3,5-二甲基-4-羟基苯甲腈(4198-90-7)红外图谱(IR1) 3,5-二甲基-4-羟基苯甲腈(4198-90-7)红外图谱(IR2)
Alfa Aesar:3,5-二甲基-4-羟基苯氰,98% 3,5-Dimethyl-4-hydroxybenzonitrile, 98%(4198-90-7)
MOL 文件:876-15-3.mol
用途一:用作医药中间体
Sigma Aldrich:4198-90-7(sigmaaldrich)
3,5-二甲基-4-羟基苯甲腈价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D2790 4-羟基-3,5-二甲基苯甲腈 4-Hydroxy-3,5-dimethylbenzonitrile 1G 422元 2014/06/02 D2790 4-羟基-3,5-二甲基苯甲腈 4-Hydroxy-3,5-dimethylbenzonitrile 5G 1250元 2010/06/21 353660050 3,5-二甲基-4-羟基苯甲腈 3,5-Dimethyl-4-hydroxybenzonitrile 97% 5 GR 1657元
Acros Organics:3,5-二甲基-4-羟基苯甲腈 3,5-Dimethyl-4-hydroxybenzonitrile, 97%(4198-90-7)
Hazard Note:Toxic
TCI Shanghai:4-羟基-3,5-二甲基苯甲腈 4-Hydroxy-3,5-dimethylbenzonitrile,>;95.0%(GC)(4198-90-7)
MOL 文件:4198-90-7.mol