3-nitrophenyl isothiocyanate

Names

[ 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

Click to get detail 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

Click to get detail 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

Yaws CL.

Thermophysical Properties of Chemicals and Hydrocarbons , (2014), 536