CAS No.20357-20-4,2-NITRO 5-BROMO-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20357-20-4
Name:	2-NITRO 5-BROMO-BENZALDEHYDE
Article Data:	36

Formula:	C₇H₄BrNO₃
Molecular Weight:	230.018
Synonyms:	5-bromo-2-nitro-benzaldehyde;5-Bromo-2-nitrobenzaldehyde;2-Nitro-5-bromobenzaldehyde;
Density:	1.781 g/cm³
Melting Point:	71.0 to 75.0 °C
Boiling Point:	330.5 °C at 760 mmHg
Flash Point:	153.7 °C
Risk Codes:	43
Safety:	36/37
PSA:	62.89000
LogP:	2.69300

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Specification

The Benzaldehyde, 5-bromo-2-nitro-, with the CAS registry number 20357-20-4, is also known as 5-Bromo-2-nitrobenzaldehyde. This chemical's molecular formula is C₇H₄BrNO₃ and molecular weight is 230.02. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-2-nitrobenzaldehyde.

Physical properties about Benzaldehyde, 5-bromo-2-nitro- are: (1) ACD/LogP: 2.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.44; (4) ACD/LogD (pH 7.4): 2.44; (5) ACD/BCF (pH 5.5): 42.36; (6) ACD/BCF (pH 7.4): 42.36; (7) ACD/KOC (pH 5.5): 508.4; (8) ACD/KOC (pH 7.4): 508.4; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 62.89 Å²; (13) Index of Refraction: 1.652; (14) Molar Refractivity: 47.24 cm³; (15) Molar Volume: 129.1 cm³; (16) Surface Tension: 59.2 dyne/cm; (17) Density: 1.781 g/cm³; (18) Flash Point: 153.7 °C; (19) Enthalpy of Vaporization: 57.31 kJ/mol; (20) Boiling Point: 330.5 °C at 760 mmHg; (21) Vapour Pressure: 0.000166 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(cc(Br)cc1)C=O
(2) InChI: InChI=1/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
(3) InChIKey: UFRVBZVJVRHSNR-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	32mg/kg (32mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07008,