Basic information
- CAS
464-00-6- Standard SMILES
OCC(F)(F)Cl- InChIKey
KWSLNKPYNZTHLJ-UHFFFAOYSA-N- Molecular formula
- C2H3ClF2O
- Average molar mass
- 116.49 g/mol
- Monoisotopic mass
- 115.98404884
Names & identifiers
- Preferred name
- 2-Chloro-2,2-difluoroethan-1-ol
- IUPAC
- 2-chloro-2,2-difluoroethanol
- English name
- 2-Chloro-2,2-difluoroethanol
- Molecular formula
- C2H3ClF2O
- Molecular weight
- 116.49
Names & synonyms
2-chloro-2,2-difluoroethan-1-olRefChem:468546818-530-32-chloro-2,2-difluoroethanol464-00-6MFCD03452785C2H3ClF2O2-chloro-2,2-difluoro-ethanolIsofluorane Impurity N2ClCF2-CH2-OHdifluorochloro-ethyl alcoholSCHEMBL22788
Show more names
Isofluorane Impurity 7Carisoprodol Impurity 172,2-Difluoro-2-chloroethanolEthanol, 2-chloro-2,2-difluoro-
SCHEMBL22789SCHEMBL8380105DTXSID30397556AKOS006279491FC78762SY197998EN300-221029G62321
Database identifiers
- CAS
464-00-6- PubChem CID
- 3864148
- DTXSID
DTXSID30397556- EC Number
- 818-530-3
- Nikkaji
- J3.240.409J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Physicochemical properties
- Boiling point
- 93 · 93-95°C
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- form
- liquid
- pka
- 12 · 12+-.0.10(Predicted)
- color
- Clear
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P241-P362+P364
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2905599890 · 2905599890
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesFlam. Liq. 2 (50%)
Safety data
- hs_code
- 2905599890
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P241-P362+P364
Chemistry & industry
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Related reactions
1 records
Compound notes
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