2-Amino-6-bromobenzaldehyde supplier

Name
3-Bromo-2-formylaniline
EINECS
CAS No. 135484-74-1
Article Data2
CAS DataBase
Density 1.673 g/cm³
Solubility
Melting Point
Formula C₇H₆BrNO
Boiling Point 302.958 °C at 760 mmHg
Molecular Weight 200.03
Flash Point 137.024 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-2-bromobenzaldehyde;3-Bromo-2-formylaniline;2-Amino-6-bromobenzaldehyde;
PSA 43.09000
LogP 2.42500

2-Amino-6-bromobenzaldehyde Specification

The IUPAC name of 2-Amino-6-bromobenzaldehyde is 2-Amino-6-bromobenzaldehyde. With the CAS registry number 135484-74-1, it is also named as 3-Bromo-2-formylaniline. In addition, its molecular formula is C₇H₆BrNO and its molecular weight is 200.03.

The other characteristics of 2-Amino-6-bromobenzaldehyde can be summarized as: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.841; (4)ACD/LogD (pH 7.4): 1.841; (5)ACD/BCF (pH 5.5): 14.765; (6)ACD/BCF (pH 7.4): 14.765; (7)ACD/KOC (pH 5.5): 239.092; (8)ACD/KOC (pH 7.4): 239.092; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 44.932 cm³; (15)Molar Volume: 119.564 cm³; (16)Polarizability: 17.812×10^-24cm³; (17)Surface Tension: 57.093 dyne/cm; (18)Density: 1.673 g/cm³; (19)Flash Point: 137.024 °C; (20)Enthalpy of Vaporization: 54.321 kJ/mol; (21)Boiling Point: 302.958 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(c(c(c1)Br)C=O)N
(2)InChI:InChI=1/C7H6BrNO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,9H2
(3)InChIKey:JGCRWLRUZUXAAN-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C7H6BrNO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,9H2
(5)Std. InChIKey:JGCRWLRUZUXAAN-UHFFFAOYSA-N

Product Name

3-Bromo-2-formylaniline

2-Amino-6-bromobenzaldehyde Specification

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