4-thiocyanatobenzene-1,2-diol
Names
[ CAS No. ]:
5393-22-6
[ Name ]:
4-thiocyanatobenzene-1,2-diol
[Synonym ]:
3,4-Dihydroxyphenyl thiocyanate
Thiocyanic acid,3,4-dihydroxyphenyl ester
3.4-Dihydroxy-1-thiocyanato-benzol
4-Thiocyanato-brenzcatechin
3.4-Dihydroxy-phenylthiocyanat
4-thiocyanato-pyrocatechol
Chemical & Physical Properties
[ Density]:
1.53g/cm3
[ Boiling Point ]:
363.3ºC at 760 mmHg
[ Molecular Formula ]:
C7H5NO2S
[ Molecular Weight ]:
167.18500
[ Flash Point ]:
173.5ºC
[ Exact Mass ]:
167.00400
[ PSA ]:
89.55000
[ LogP ]:
1.67098
[ Index of Refraction ]:
1.708
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XK9360000
- CHEMICAL NAME :
- Thiocyanic acid, 3,4-dihydroxyphenyl ester
- CAS REGISTRY NUMBER :
- 5393-22-6
- BEILSTEIN REFERENCE NO. :
- 2444947
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H5-N-O2-S
- MOLECULAR WEIGHT :
- 167.19
- WISWESSER LINE NOTATION :
- QR BQ DSCN
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07866
Safety Information
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2930909090
[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%