3,5-Bis(trifluoromethyl)benzylamine (HCID 521099)

Names & identifiers

Preferred name: 3,5-Bis(trifluoromethyl)benzylamine
IUPAC: [3,5-bis(trifluoromethyl)phenyl]methanamine
English name: 3,5-Bis(trifluoromethyl)benzylamine
Molecular formula: C9H7F6N
Molecular weight: 243.15

Names & synonyms

3,5-Bis(trifluoromethyl)benzylamine85068-29-7(3,5-Bis(trifluoromethyl)phenyl)methanamine[3,5-Bis(trifluoromethyl)phenyl]methanamine3,5-di(trifluoromethyl)benzylamineBenzenemethanamine, 3,5-bis(trifluoromethyl)-3,5-bis(trifluoromethyl)benzenemethanamineW9RP2724XXEINECS 285-290-9DTXSID70234133((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)AMINE[[3,5-Bis(trifluoromethyl)phenyl]methyl]amine

Show more names

MBT-BYMTIMTEC-BB SBB000829RARECHEM AL BW 01373,5-Bis(TrifluroMethyl)BenzylAmine3,5-Bis(trifluoromethyl)benzylamine95%3,5-Bis(trifluoromethyl)benzylamine 95%(3,5-Bis(trifluoromethyl)phenyl)methamine

RefChem:91388DTXCID70156624285-290-9DHVHORCFFOSRBP-UHFFFAOYSA-NMFCD000099093,5-bis(trifluoromethyl)benzyl amine1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANAMINE[3,5-bis(trifluoromethyl)phenyl]methylamine

Database identifiers

CAS: 85068-29-7
PubChem CID: 521099
DTXSID: DTXSID70234133
UNII: W9RP2724XX
EC Number: 285-290-9
Nikkaji: J309.646G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 211

Physicochemical properties

Melting point: 50 · 50-55 °C(lit.)
Boiling point: 82 · 82-84 °C (15 mmHg)
Density: 1.3653 · 1.3653 (estimate)
Flash point: 173 °F · 173 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Methanol
form: Crystalline Mass, Powder, Crystals and/or Chunks
pka: 8.32 · 8.32±0.10(Predicted)
color: White to beige
Sensitive: Air Sensitive
BRN: 7209267 · 7209267
InChI: 1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2
InChIKey: DHVHORCFFOSRBP-UHFFFAOYSA-N
SMILES: NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CAS DataBase Reference: 85068 · 85068-29-7(CAS DataBase Reference)
FDA UNII: 9 RP2724XX · W9RP2724XX
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-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-21/22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3259 · UN 3259 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-34
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214990 · 29214990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 Kg · 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 · 6 items

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Hazard information

Hazard Classes and Categories · 3 items

Skin Corr. 1B (98%)

Hazardous to the aquatic environment (Acute) - Category 2

Safety data

F: 10-34
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29214990
risk_code: 34-21/22
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: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses3,5-bis(Trifluoromethyl)benzylamine is used in preparation of nitrile by catalytic oxidation of amines.

Upstream & downstream products

Upstream raw materials

Downstream products

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-[[(8α,9S)-6'-methoxycinchonan-9-yl]amino]-3-Cyclobutene-1,2-dione

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

116 records

New reaction record

HRID 17035As reactantuspto-grants-2010_06

HRID 17039As reactantuspto-grants-2010_06

HRID 86159As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 143691As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146900As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 157770As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 160087As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information