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2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE

2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE structure

CAS No:
86256-59-9
Formula:
C8H8F3NO
Chemical Name:
2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE
Synonyms:
2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE;4-TRIFLUOROMETHOXY-O-TOLUIDINE;4-TRIFLUOROMETHOXY-2-METHYLANILINE;2-Amino-5-(trifluoromethoxy)toluene, 4-(Trifluoromethoxy)-o-toluidine;2-methyl-4-(trifluoromethoxy)benzenamine;2-Amino-5-(trifluoromethoxy)toluene, 4-Amino-3-methyl-alpha,alpha,alpha-trifluoroanisole;2-Methyl-4-(trifluoromethoxy)aniline, 97+%;4-(Trifluoromethoxy)-o-toluidine (NH2=1)
Categories:
Organic Chemistry > Coordination Complexes

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2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE Basic Attributes

Molecular Weight：

191.15

Exact Mass：

191.05579836

DSSTox ID：

DTXSID60379582

HScode：

2922299090

Characteristics

PSA：

35.25000

XLogP3：

3.05700

Density：

1.288±0.06 g/cm3

Melting Point：

>300 °C(lit.)

Boiling Point：

206.9±35.0 °C(Predicted)

Refractive Index：

1.483

PKA：

3.59±0.10

Safety Information

Hazard category：

6.1

hazard class code：

20/21/22-36/37/38-26/27/28-36/38

safety instructions：

26-36/37/39-24/25

Marks：

T,T+,Xn

GHS Classification：

|Danger|H302+H312+H332 (86.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:191.15
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:191.05579836
Monoisotopic Mass:191.05579836
Topological Polar Surface Area:35.2
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-METHYL-4-(TRIFLUOROMETHOXY)ANILINE

CAS No.: 86256-59-9

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