CAS 88301-96-6 2-Amino-3-(methylthiomethyl)benzotrifluoride (HCID 2735934)

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Basic information

CAS: 88301-96-6
Standard SMILES: CSCc1cccc(C(F)(F)F)c1N
InChIKey: AWUFEMPPABUXSZ-UHFFFAOYSA-N
Molecular formula: C9H10F3NS
Average molar mass: 221.24 g/mol
Monoisotopic mass: 221.04860498

Names & identifiers

Preferred name: 2-Amino-3-(methylthiomethyl)benzotrifluoride
IUPAC: 2-(methylsulfanylmethyl)-6-(trifluoromethyl)aniline
English name: 2-Amino-3-(methylthiomethyl)benzotrifluoride
Molecular formula: C9H10F3NS
Molecular weight: 221.24

Names & synonyms

2-Amino-3-(methylthiomethyl)benzotrifluorideRefChem:463810639-338-488301-96-62-((Methylthio)methyl)-6-(trifluoromethyl)aniline2-(methylsulfanylmethyl)-6-(trifluoromethyl)aniline2-[(methylsulfanyl)methyl]-6-(trifluoromethyl)anilineMFCD000528422-(Trifluoromethyl)-6-((methylthio)methyl)benzenamine2-{(Methylthio)methyl}-6-(trifluoromethyl)aniline2-(Methylthiomethyl)-6-(trifluoromethyl)anilineSCHEMBL6063364

Show more names

2-Amino-3-(methylthiomethyl)benzotrifluoride97%2-Amino-3-(methylthiomethyl)benzotrifluoride 97%2-[(methylthio)methyl]-6-(trifluoromethyl)anilineBenzenaMine,2-[(Methylthio)Methyl]-6-(trifluoroMethyl)-

DTXSID10371031SBB070548AKOS015890332PS-7850SB797202-methylthiomethyl-6-trifluoromethylaniline2-methylthiomethyl-6-trifluoromethyl anilineCS-0317016

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 183

Physicochemical properties

Boiling point: 71 · 71-73°C 6mm
Density: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
form: liquid
pka: 0.72 · 0.72±0.13(Predicted)
color: Clear, faint yellow/green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: T
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Toxic
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2930909899
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
hazard_note: Toxic
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501