m-Fluorophenyl isothiocyanate

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Names

[ CAS No. ]:
404-72-8

[ Name ]:
m-Fluorophenyl isothiocyanate

[Synonym ]:
Isothiocyanic Acid 3-Fluorophenyl Ester
3-Fluorophenyl Isothiocyanate
MFCD00004804
Isothiocyanic acid, m-fluorophenyl ester
3-Fluorobenzene isothiocyanate
m-Fluorophenyl isothiocyanate
Benzene, 1-fluoro-3-isothiocyanato-
1-Fluoro-3-isothiocyanatobenzene
EINECS 206-967-7

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
227.8±13.0 °C at 760 mmHg

[ Molecular Formula ]:
C₇H₄FNS

[ Molecular Weight ]:
153.177

[ Flash Point ]:
85.0±0.0 °C

[ Exact Mass ]:
153.004852

[ PSA ]:
44.45000

[ LogP ]:
3.41

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.553

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8750000

CHEMICAL NAME :: Isothiocyanic acid, m-fluorophenyl ester

CAS REGISTRY NUMBER :: 404-72-8

BEILSTEIN REFERENCE NO. :: 2081172

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H4-F-N-S

MOLECULAR WEIGHT :: 153.18

WISWESSER LINE NOTATION :: SCNR CF

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 :: 56 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#00949

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H312-H314-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C: Corrosive;T: Toxic;Xi: Irritant;Xn: Harmful;

[ Risk Phrases ]:
20/21/22-34-36/37-36/37/38

[ Safety Phrases ]:
S26-S27-S36/37/39-S45

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
NX8750000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-fluoroaniline
Thiophosgene
Carbon disulphide

DownStream

(3-FLUOROPHENYL)THIOUREA
4-(3-Fluorophenyl)-3-thiosemicarbazide
brn 4880004
N,N'-diphenylpropanedithioamide
4-Thiazolidinone,3-(3-fluorophenyl)-2-thioxo-
1-(3-FLUOROPHENYL)-3-METHYL-2-THIOUREA

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%

Related Compounds

m-Fluorophenyl trifluoromethanesulfonate
m-fluorophenyl phenyl sulfone
4-Fluorophenyl isothiocyanate
Isothiocyanic Acid 2-Fluorophenyl Ester
N-m-Fluorophenyl-salicylidenimin
N-(m-Fluorophenyl)-N,N'-dimethyl-N'-phenylethylenediamine
2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(4-methyl-1H-imidazol-1-yl)pyrazine
2,2-Difluoro-1-(2-hydroxyphenyl)cyclopropane-1-carboxylic acid
9-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-9H-purine
2-(1-Hydroxy-3,3-dimethylcyclobutyl)-2,3-dimethylbutanoic acid
2-(2,6-Dimethoxy-4-methylphenyl)propan-1-amine
(2S)-2-(2,6-dimethoxy-4-methylphenyl)oxirane
Ethyl 2-amino-3-(4-chloropyridin-2-yl)propanoate
(R)-2-((tert-Butoxycarbonyl)amino)-3-(quinolin-6-yl)propanoic acid
6-[4-(2-chlorophenyl)piperazin-1-yl]-9-ethyl-9H-purine
2-[1-(2-Methyl-1,3-thiazol-4-yl)cyclobutyl]acetic acid

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