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3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE

3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE structure

CAS No:
207974-07-0
Formula:
C8H8F3NS
Chemical Name:
3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE
Synonyms:
2-(Methylsulfanyl)-5-(trifluoromethyl)aniline;2-(METHYLTHIO)-5-TRIFLUOROMETHYLANILINE;2-METHYLSULFANYL-5-TRIFLUOROMETHYL-PHENYLAMINE;2-AMINO-1-METHYLTHIO-4-TRIFLUOROMETHYLBENZENE;ALPHA,ALPHA,ALPHA-TRIFLUORO-6-(METHYLTHIO)-M-TOLUIDINE;3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE;2-Amino-1-methylthio-4-triflyoromethylbenzene;3-Amino-4-(methylthio)benzotrifluoride 97%
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE Basic Attributes

Molecular Weight：

207.22

Exact Mass：

207.03300

BRN：

9122593

DSSTox ID：

DTXSID90345654

HScode：

2930909090

Characteristics

PSA：

51.3

XLogP3：

3.59070

Density：

1.32g/cm3

Boiling Point：

112°C12mm

Flash Point：

111-112°C/12mm

Refractive Index：

1.537

Vapor Pressure：

0.0341mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Harmful/Stench

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.22
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:207.03295492
Monoisotopic Mass:207.03295492
Topological Polar Surface Area:51.3
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 207974-07-0

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE

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