Basic information
- CAS
2740-83-2- Standard SMILES
NCc1cccc(C(F)(F)F)c1- InChIKey
YKNZTUQUXUXTLE-UHFFFAOYSA-N- Molecular formula
- C8H8F3N
- Average molar mass
- 175.15 g/mol
- Monoisotopic mass
- 175.06088392
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)benzylamine
- IUPAC
- [3-(trifluoromethyl)phenyl]methanamine
- English name
- 3-(Trifluoromethyl)benzylamine
- Molecular formula
- C8H8F3N
- Molecular weight
- 175.15
Names & synonyms
3-(Trifluoromethyl)benzylamine2740-83-2EINECS 220-367-2DTXSID00181828RefChem:496382DTXCID40104319220-367-2(3-(Trifluoromethyl)phenyl)methanamine[3-(Trifluoromethyl)phenyl]methanamine3-(trifluoromethyl)benzyl amine1-[3-(trifluoromethyl)phenyl]methanamine3-Trifluoromethylbenzylamine
Show more names
RARECHEM AL BW 0022TIMTEC-BB SBB0066913-(Trifluoromethyl)bM-TRIFLUOROMETHYL BENZYLAMINE3-(Trifluoromethyl)benzylamine98%3-(Trifluoromethyl)benzylamine 98%3-(Trifluoromethyl)benzylamine, 97+%3-(Trifluoromethyl)benzenemethanamine
Benzenemethanamine, 3-(trifluoromethyl)-MFCD00008117m-(Trifluoromethyl)benzylamine(3-(trifluoromethyl)phenyl)methylamine[3-(trifluoromethyl)phenyl]methylamine3-Trifluoromethyl-benzylamine3-trifluoromethylbenzyl amine3-trifluoromethylbenzyl-amine
Database identifiers
- CAS
2740-83-2- PubChem CID
- 75962
- DTXSID
DTXSID00181828- ChEMBL
CHEMBL13024- EC Number
- 220-367-2
- Nikkaji
- J236.180I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 176.5 · 176.5-178.5 °C
- Boiling point
- 93 · 93-97 °C (22 mmHg)
- Density
- 1.222 g/mL · 1.222 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 8.69 · 8.69±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.222 · 1.222
- color
- Clear colorless to yellow
- Water Solubility
- insoluble
- Sensitive
- Air Sensitive
- BRN
- 1102465 · 1102465
- InChI
- InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
- InChIKey
- YKNZTUQUXUXTLE-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=CC(C(F)(F)F)=C1
- CAS DataBase Reference
- 2740 · 2740-83-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 2 · 2
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214980 · 29214980
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- 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
GHS classification
GHS Classification
Danger
H302 (76.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (76.5%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29214980
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- 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)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses3-(Trifluoromethyl)benzylamine has been used in the preparation of 6-substituted purines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Related reactions
148 records
Compound notes
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