3,5-Dimethyl-4-hydroxybenzonitrile
Names
[ CAS No. ]:
4198-90-7
[ Name ]:
3,5-Dimethyl-4-hydroxybenzonitrile
[Synonym ]:
QR B1 F1 DCN
Benzonitrile, 4-hydroxy-3,5-dimethyl-
4-Cyano-2,6-dimethylphenol
4-Hydroxy-3,5-dimethylbenzonitrile
2,6-Dimethyl-4-cyanophenol
MFCD00221716
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
310.6±30.0 °C at 760 mmHg
[ Melting Point ]:
123-127 °C
[ Molecular Formula ]:
C9H9NO
[ Molecular Weight ]:
147.174
[ Flash Point ]:
141.7±24.6 °C
[ Exact Mass ]:
147.068420
[ PSA ]:
44.02000
[ LogP ]:
2.52
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.564
[ Storage condition ]:
Refrigerator
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DI4359000
- CHEMICAL NAME :
- Benzonitrile, 3,5-dimethyl-4-hydroxy-
- CAS REGISTRY NUMBER :
- 4198-90-7
- BEILSTEIN REFERENCE NO. :
- 2574734
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H9-N-O
- MOLECULAR WEIGHT :
- 147.19
- WISWESSER LINE NOTATION :
- QR B1 F1 DCN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- 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
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H300-H319
[ Precautionary Statements ]:
P264-P301 + P310-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
[ Hazard Codes ]:
T:Toxic;Xn:Harmful;
[ Risk Phrases ]:
R25;R20/21/22;R32
[ Safety Phrases ]:
S26-S45-S36/37
[ RIDADR ]:
UN 2811 6.1/PG 3
[ RTECS ]:
DI4359000
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%