3,4-diaminobenzotrifluoride - CAS 368-71-8

Catalog:	BB053781
Product Name:	3,4-diaminobenzotrifluoride
CAS:	368-71-8
Synonyms:	4-(Trifluoromethyl)-1,2-Phenylenediamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(trifluoromethyl)benzene-1,2-diamine
Molecular Weight:	176.14
Molecular Formula:	C7H7F3N2
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)N)N
InChI:	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChI Key:	RQWJHUJJBYMJMN-UHFFFAOYSA-N
Boiling Point:	252.7±40.0 °C at 760 mmHg
Melting Point:	59-60°C
Purity:	98%
Density:	1.4±0.1 g/cm3
Appearance:	Light Tan Powder

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Related Functional Groups

Amines and Anilines

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride
[856848-33-4]
2-Amino-4,5-dibromopyridine
[1597-32-6]
2-Amino-6-fluoropyridine
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride

Halides

[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[2114-39-8]
2-Bromo-1-phenylpropane
[393841-81-1]
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]; H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (75%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.05613272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.05613272
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1