Basic information
- CAS
942996-06-7- Standard SMILES
NC(CC(F)(F)F)c1ccccc1- InChIKey
KBXXAXKUJGFVHY-UHFFFAOYSA-N- Molecular formula
- C9H10F3N
- Average molar mass
- 189.18 g/mol
- Monoisotopic mass
- 189.07653398
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-1-phenylpropan-1-amine
- IUPAC
- 3,3,3-trifluoro-1-phenylpropan-1-amine
- English name
- 3,3,3-trifluoro-1-phenylpropan-1-amine
- Molecular formula
- C9H10F3N
- Molecular weight
- 189.18
Names & synonyms
3,3,3-trifluoro-1-phenylpropan-1-amine942996-06-7DTXSID10591510RefChem:485041DTXCID60542274844-653-73,3,3-Trifluoro-1-phenyl-propylamineMFCD09814330(R)-3,3,3-Trifluoro-1-phenyl-propylamine(S)-3,3,3-Trifluoro-1-phenyl-propylamineSCHEMBL381296SCHEMBL28253008
Show more names
Benzenemethanamine, α-(2,2,2-trifluoroethyl)-
KBXXAXKUJGFVHY-UHFFFAOYSA-NSMB99606AKOS000163816AKOS022488622AT15124FS-3448SB31817SB38308
Database identifiers
- CAS
942996-06-7- PubChem CID
- 17895752
- DTXSID
DTXSID10591510- EC Number
- 844-653-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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%)
Safety data
- ridadr
- UN2735
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京新研汇医药研发有限公司
Related reactions
3 records
Compound notes
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