Basic information
- CAS
247170-25-8- Standard SMILES
Fc1ccc(Cl)cc1N=C=S- InChIKey
RUASREJPMXNHLF-UHFFFAOYSA-N- Molecular formula
- C7H3ClFNS
- Average molar mass
- 187.62 g/mol
- Monoisotopic mass
- 186.965876
Names & identifiers
- Preferred name
- 4-Chloro-1-fluoro-2-isothiocyanatobenzene
- IUPAC
- 4-chloro-1-fluoro-2-isothiocyanatobenzene
- English name
- 5-Chloro-2-fluorophenyl isothiocyanate
- Molecular formula
- C7H3ClFNS
- Molecular weight
- 187.62
Names & synonyms
247170-25-85-chloro-2-fluorophenyl isothiocyanate4-chloro-1-fluoro-2-isothiocyanatobenzene5-Chloro-2-fluorophenylisothiocyanateMFCD01313224Benzene, 4-chloro-1-fluoro-2-isothiocyanato-5-chloro-2-fluorobenzenisothiocyanateSCHEMBL1021879DTXSID70371456SBB090656AKOS009158228PS-10297
Show more names
3-CHLORO-6-FLUOROPHENYLISOTHIOCYANATEBenzene, 4-chloro-1-fluoro-2-isothiocyanato- (9CI)
SY0646444-chloro-1-fluoro-2-isothiocyanato-benzeneDB-046532F035696
Database identifiers
- CAS
247170-25-8- PubChem CID
- 2736579
- DTXSID
DTXSID70371456
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Sensitive
- Moisture Sensitive/Lachrymatory
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 501 · P501-P210-P280-P370+P378-P403+P235
- Hazard Codes
- C,T
- Hazard Note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C,T
- hazard_note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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