4-Fluorophenyl isothiocyanate

Modify Date: 2024-01-02 10:21:51

4-Fluorophenyl isothiocyanate Structure
4-Fluorophenyl isothiocyanate structure
Common Name 4-Fluorophenyl isothiocyanate
CAS Number 1544-68-9 Molecular Weight 153.177
Density 1.2±0.1 g/cm3 Boiling Point 228.8±13.0 °C at 760 mmHg
Molecular Formula C7H4FNS Melting Point 24-26 °C(lit.)
MSDS Chinese USA Flash Point 89.4±0.0 °C
Symbol GHS05 GHS08
GHS05, GHS08
Signal Word Danger

 Names

Name 4-Fluorophenyl Isothiocyanate
Synonym More Synonyms

 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

 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
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

~94%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Beilstein Journal of Organic Chemistry, , vol. 8, p. 61 - 70

~83%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Tetrahedron Letters, , vol. 51, # 28 p. 3654 - 3657

~%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Journal of Organic Chemistry, , vol. 72, # 10 p. 3969 - 3971

~38%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Synthesis (Germany), , vol. 45, # 12 art. no. SS-2013-F0228-OP, p. 1667 - 1674

~%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Journal of Fluorine Chemistry, , vol. 41, p. 303 - 310

~%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 52, # 5 p. 1033 - 1039,899 - 904

~%

4-Fluorophenyl isothiocyanate Structure

4-Fluorophenyl ...

CAS#:1544-68-9

Literature: Journal of the Chemical Society, , p. 1581,1583 Errata,

 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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 Synonyms

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