CAS
1130759-48-6 Purity
96%
1130759-48-6 Purity
96%
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3-Bromo-4,5-diaminobenzotrifluoride
CAS
113170-72-2
Catalog Number
ACM113170722
Category
Bromine Series
Molecular Weight
255.04
Molecular Formula
C7H6BrF3N2
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Specification
Synonyms
656003_ALDRICH, 3-Bromo-4,5-diaminobenzotrifluoride, ZINC00152846, CID735785, ST5307892, D1189, 113170-72-2
IUPAC Name
3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
Canonical SMILES
C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
InChI Key
OVGAPUVMLZWQQF-UHFFFAOYSA-N
Boiling Point
273.9ºC at 760mmHg
Melting Point
60-62ºC
Flash Point
119.5ºC
Density
1.774g/cm³
Appearance
white to pinkish-brown powder
Exact Mass
253.96700
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
5
H-Bond Donor
2
Safety Description
S26-S36/37/39
WGK Germany
3
What is the PubChem CID of 3-Bromo-4,5-diaminobenzotrifluoride?
The PubChem CID of 3-Bromo-4,5-diaminobenzotrifluoride is 735785.
What is the molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride?
The molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride is C7H6BrF3N2.
What is the molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride?
The molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride is 255.03 g/mol.
What is the IUPAC name of 3-Bromo-4,5-diaminobenzotrifluoride?
The IUPAC name of 3-Bromo-4,5-diaminobenzotrifluoride is 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine.
What is the InChI of 3-Bromo-4,5-diaminobenzotrifluoride?
The InChI of 3-Bromo-4,5-diaminobenzotrifluoride is InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2.
What is the InChIKey of 3-Bromo-4,5-diaminobenzotrifluoride?
The InChIKey of 3-Bromo-4,5-diaminobenzotrifluoride is OVGAPUVMLZWQQF-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromo-4,5-diaminobenzotrifluoride?
The canonical SMILES of 3-Bromo-4,5-diaminobenzotrifluoride is C1=C(C=C(C(=C1N)N)Br)C(F)(F)F.
What is the CAS number of 3-Bromo-4,5-diaminobenzotrifluoride?
The CAS number of 3-Bromo-4,5-diaminobenzotrifluoride is 113170-72-2.
What is the EC number of 3-Bromo-4,5-diaminobenzotrifluoride?
The EC number of 3-Bromo-4,5-diaminobenzotrifluoride is 625-719-2.
Is 3-Bromo-4,5-diaminobenzotrifluoride canonicalized?
Yes, 3-Bromo-4,5-diaminobenzotrifluoride is canonicalized.
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