4-Fluorophenyl isothiocyanate

Names

[ Name ]:
4-Fluorophenyl isothiocyanate

[Synonym ]:
MFCD00004809
Isothiocyanic Acid 4-Fluorophenyl Ester
EINECS 216-280-4
Isothiocyanic acid, p-fluorophenyl ester
SCNR DF
Benzene, 1-fluoro-4-isothiocyanato-
4-Fluorobenzene isothiocyanate
p-Fluorophenyl isothiocyanate
1-Fluoro-4-isothiocyanatobenzene
4-Fluorophenyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
228.8±13.0 °C at 760 mmHg

[ Melting Point ]:
24-26 °C(lit.)

[ Molecular Formula ]:
C₇H₄FNS

[ Molecular Weight ]:
153.177

[ Flash Point ]:
89.4±0.0 °C

[ Exact Mass ]:
153.004852

[ PSA ]:
44.45000

[ LogP ]:
3.28

[ 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 :: NX8760000

CHEMICAL NAME :: Isothiocyanic acid, p-fluorophenyl ester

CAS REGISTRY NUMBER :: 1544-68-9

BEILSTEIN REFERENCE NO. :: 0636596

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

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

MOLECULAR WEIGHT :: 153.18

WISWESSER LINE NOTATION :: SCNR DF

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#00950

Safety Information

[ Symbol ]:

GHS05, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H317-H334

[ Precautionary Statements ]:
P261-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 ]:
R34;R42

[ Safety Phrases ]:
S23-S26-S36/37-S39-S45

[ RIDADR ]:
UN 1759 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
NX8760000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ 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%

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