3-nitrophenyl isothiocyanate
Names
[ CAS No. ]:
3529-82-6
[ Name ]:
3-nitrophenyl isothiocyanate
[Synonym ]:
m-Nitrophenyl isothiocyanate
3-Nitrophenyl isothiocyanate
ISOTHIOCYANIC ACID,m-NITROPHENYL ESTER
1-isothiocyanato-3-nitro-benzene
Benzene,1-isothiocyanato-3-nitro
1-nitryl-3-isothiocyanatobenzene
MFCD00041245
Chemical & Physical Properties
[ Density]:
1.33g/cm3
[ Boiling Point ]:
317.8ºC at 760mmHg
[ Melting Point ]:
57-60 °C(lit.)
[ Molecular Formula ]:
C7H4N2O2S
[ Molecular Weight ]:
180.18400
[ Flash Point ]:
146ºC
[ Exact Mass ]:
179.99900
[ PSA ]:
90.27000
[ LogP ]:
2.85230
[ Index of Refraction ]:
1.631
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX9110000
- CHEMICAL NAME :
- Isothiocyanic acid, m-nitrophenyl ester
- CAS REGISTRY NUMBER :
- 3529-82-6
- BEILSTEIN REFERENCE NO. :
- 2094061
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H4-N2-O2-S
- MOLECULAR WEIGHT :
- 180.19
- WISWESSER LINE NOTATION :
- WNR CNCS
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 :
- 75 mg/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#07672
Safety Information
[ Symbol ]:
GHS05
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H314
[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
[ Hazard Codes ]:
C: Corrosive;
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S23-S26-S36/37/39-S45
[ RIDADR ]:
UN 3261 8/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
NX9110000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ 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%
Articles
Thermophysical Properties of Chemicals and Hydrocarbons , (2014), 536
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals 2nd ed.,, (2015), 138
Synthesis and antimicrobial activity of novel naphtho[2,1-b]furo-5H-[3,2-d][1,3,4] thiadiazolo[3,2-a]pyrimidin-5-ones. Ravindra KC, et al.
ARKIVOC 11(1) , (2008)