3-(Trifluoromethoxy)benzylamine

HCID 145264

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Basic information

CAS: 93071-75-1
Standard SMILES: NCc1cccc(OC(F)(F)F)c1
InChIKey: TUPUHSXMDIWJQT-UHFFFAOYSA-N
Molecular formula: C8H8F3NO
Average molar mass: 191.15 g/mol
Monoisotopic mass: 191.05579854

Names & identifiers

Preferred name: 3-(Trifluoromethoxy)benzylamine
IUPAC: [3-(trifluoromethoxy)phenyl]methanamine
English name: 3-(Trifluoromethoxy)benzylamine
Molecular formula: C8H8F3NO
Molecular weight: 191.15

Names & synonyms

3-(Trifluoromethoxy)benzylamine93071-75-1DTXSID60239253RefChem:276038DTXCID80161744[3-(trifluoromethoxy)phenyl]methanamine3-(trifluoromethoxy)benzyl amineMFCD00061267(3-(trifluoromethoxy)phenyl)methanamine1-[3-(Trifluoromethoxy)phenyl]methanamine[3-(trifluoromethoxy)phenyl]methylamine3-Trifluoromethoxybenzylamine

Show more names

RARECHEM AL BW 04523-TRIFLUORMETHOXYBENZYLAMINEM-TRIFLUOROMETHOXYBENZYL AMINE3-(TRIFLUOROMETHYOXY)BENZYLAMINE3-(Trifluoromethoxy)benzylamine97%3-(Trifluoromethoxy)benzylamine 97%3-(Trifluoromethoxy)benzylamine,98%3-(Trifluoromethoxy)benzenemethanamine

Benzenemethanamine, 3-(trifluoromethoxy)-3-trifluoromethoxy-benzylamineSCHEMBL111452SCHEMBL2094315SCHEMBL27575515SCHEMBL27999471SCHEMBL28109430SCHEMBL29786543

Database identifiers

CAS: 93071-75-1
PubChem CID: 145264
DTXSID: DTXSID60239253
EC Number: 671-705-4
Nikkaji: J2.122.470G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 190.8 · 190.8±35.0 °C(Predicted)
Density: 1.275 · 1.275±0.06 g/cm3(Predicted)
refractive index: 1.451 · 1.451-1.454
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.7 · 8.70±0.10(Predicted)
form: Liquid
Specific Gravity: 1.275 · 1.275
color: Clear colorless to light yellow
Sensitive: Air Sensitive
BRN: 8763246 · 8763246
CAS DataBase Reference: 93071 · 93071-75-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xn
Risk Statements: 34 · 34-43-22
Safety Statements: 45 · 45-36/37/39-26-36/37-23-20
RIDADR: 2735 · UN2735
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29215900 · 29215900
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 · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: UN2735
hs_code: 29215900
risk_code: 34-43-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xn
hazard_note: Corrosive
safety_code: 45-36/37/39-26-36/37-23-20
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
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: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a