Basic information
- CAS
79944-65-3- Standard SMILES
Fc1cc(Cl)cc(CCl)c1- InChIKey
XKFGZKBYLFDLMS-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2F
- Average molar mass
- 179.02 g/mol
- Monoisotopic mass
- 177.97523374
Names & identifiers
- Preferred name
- 1-Chloro-3-(chloromethyl)-5-fluorobenzene
- IUPAC
- 1-chloro-3-(chloromethyl)-5-fluorobenzene
- English name
- 1-Chloro-3-(chloromethyl)-5-fluorobenzene
- Molecular formula
- C7H5Cl2F
- Molecular weight
- 179.02
Names & synonyms
1-CHLORO-3-(CHLOROMETHYL)-5-FLUOROBENZENE79944-65-3DTXSID30695160RefChem:229351DTXCID906459091-Chloro-3-(chloromethyl)-5-fluoro-benzeneMFCD11110094SCHEMBL14750162SCHEMBL31322887XKFGZKBYLFDLMS-UHFFFAOYSA-NAKOS006309273AB63445
Show more names
Benzene, 1-chloro-3-(chloromethyl)-5-fluoro-
1-chloro-3-fluoro-5-chloromethylbenzeneBS-24328DS-021632EN300-1985329
Database identifiers
- CAS
79944-65-3- PubChem CID
- 53403292
- DTXSID
DTXSID30695160- EC Number
- 987-665-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 205.6 · 205.6±25.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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