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
  • 5-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazole-3-amido]-3-methyl-1,2-thiazole-4-carboxylic acid
  • 5-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]-3-methyl-1,2-thiazole-4-carboxylic acid
  • (2S)-2-[3-cyclopentyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]propanoic acid
  • 5-cyclobutyl-1-(1-cyclobutylethyl)-1H-1,2,3-triazole-4-carboxylic acid
  • 3-cyclopentyl-4-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)but-2-enamido]butanoic acid
  • 5-cyclobutyl-1-(2,2-difluoro-3-hydroxypropyl)-1H-1,2,3-triazole-4-carboxylic acid
  • 3-cyclopentyl-4-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]butanoic acid
  • 3-cyclopentyl-4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]butanoic acid
  • 3-cyclopentyl-4-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]butanoic acid
  • 3-cyclopentyl-4-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]butanoic acid
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