404-72-8

404-72-8 structure

Name: m-Fluorophenyl isothiocyanate
Chemical Name: 3-fluorophenyl isothiocyanate
CAS Number: 404-72-8
Molecular Formula: C₇H₄FNS
Molecular Weight: 153.177
Catalog: Chemical reagent Organic reagent Cyanide/nitrile
Create Date: 2018-07-02 19:31:41
Modify Date: 2024-01-05 11:17:30

Name	3-fluorophenyl isothiocyanate
Synonyms	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

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

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

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

372-19-0

463-71-8

404-72-8

Literature: Yan, Shunqi; Appleby, Todd; Gunic, Esmir; Shim, Jae Hoon; Tasu, Tania; Kim, Hongwoo; Rong, Frank; Chen, Huaming; Hamatake, Robert; Wu, Jim Z.; Hong, Zhi; Yao, Nanhua Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 1 p. 28 - 33

75-15-0

372-19-0

404-72-8

Literature: Li, Jiebo; Tan, Zhiwu; Tang, Shixing; Hewlett, Indira; Pang, Ruifang; He, Meizi; He, Shanshan; Tian, Baohe; Chen, Kan; Yang, Ming Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 8 p. 3177 - 3188

372-19-0

404-72-8

Literature: Liu, Pengfei; Li, Chunyan; Zhang, Jingwei; Xu, Xiaoyong Synthetic Communications, 2013 , vol. 43, # 24 p. 3342 - 3351

Precursor 3
372-19-0 463-71-8 75-15-0
DownStream 6
458-05-9 70619-48-6 141300-34-7 4887-74-5
56676-50-7 62644-14-8

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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