Basic information
- CAS
51163-28-1- Standard SMILES
O=C=Nc1ccc(Cl)cc1F- InChIKey
HHFPUBQPIUYQJW-UHFFFAOYSA-N- Molecular formula
- C7H3ClFNO
- Average molar mass
- 171.55 g/mol
- Monoisotopic mass
- 170.98871962
Names & identifiers
- Preferred name
- 4-Chloro-2-fluorophenyl isocyanate
- IUPAC
- 4-chloro-2-fluoro-1-isocyanatobenzene
- English name
- 4-CHLORO-2-FLUORO-1-ISOCYANATOBENZENE
- Molecular formula
- C7H3ClFNO
- Molecular weight
- 171.56
Names & synonyms
69922-26-54-Chloro-2-fluorophenyl isocyanateRefChem:98367624-973-151163-28-14-chloro-2-fluoro-1-isocyanatobenzeneMFCD037016004-chloro-2-fluorophenylisocyanate2-fluoro-4-chlorophenyl isocyanate4-chloro-2-fluoro-1-isocyanato-benzeneSCHEMBL163398SCHEMBL29574363
Show more names
Benzene, 4-chloro-2-fluoro-1-isocyanato-
HHFPUBQPIUYQJW-UHFFFAOYSA-NDTXSID901296873ALBB-003019UCA92226BBL037645GEO-03222STK502539AKOS000177819
Database identifiers
- CAS
51163-28-1、69922-26-5- PubChem CID
- 4558203
- DTXSID
DTXSID901296873- EC Number
- 624-973-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 208.3 · 208.3±25.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- refractive index
- 1.54 · 1.5400
- Flash point
- 100 ° · 100°
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 290 · H290-H302-H314-H318-H333-EUH029
- Precautionary statements
- 201 · P201-P202-P231+P232-P233-P234-P260-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P390-P403+P233-P406
- RIDADR
- 3265 · UN3265
- HazardClass
- 8 · 8
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- UN3265
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- 8
- Hazard statements
- H290-H302-H314-H318-H333-EUH029
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P201-P202-P231+P232-P233-P234-P260-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P390-P403+P233-P406
Chemistry & industry
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
14 records
Compound notes
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