CAS 3958-57-4|3-Nitrobenzyl bromide

Introduction：Basic information about CAS 3958-57-4|3-Nitrobenzyl bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles1
6. Synonyms

Common Name	3-Nitrobenzyl bromide
CAS Number	3958-57-4	Molecular Weight	216.032
Density	1.7±0.1 g/cm3	Boiling Point	300.9±17.0 °C at 760 mmHg
Molecular Formula	C₇H₆BrNO₂	Melting Point	58-59 °C(lit.)
MSDS	ChineseUSA	Flash Point	135.8±20.9 °C
Symbol	GHS05, GHS07	Signal Word	Danger

Names

Name	3-Nitrobenzyl bromide
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.7±0.1 g/cm3
Boiling Point	300.9±17.0 °C at 760 mmHg
Melting Point	58-59 °C(lit.)
Molecular Formula	C₇H₆BrNO₂
Molecular Weight	216.032
Flash Point	135.8±20.9 °C
Exact Mass	214.958176
PSA	45.82000
LogP	2.65
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.612
InChIKey	LNWXALCHPJANMJ-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1cccc(CBr)c1
Water Solubility	insoluble

Safety Information

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H314-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C:Corrosive;
Risk Phrases	R34
Safety Phrases	S26-S27-S28-S36/37/39-S45
RIDADR	UN 3261 8/PG 2
WGK Germany	3
Packaging Group	II
Hazard Class	8
HS Code	2904909090

Customs

HS Code	2904909090
Summary	HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles1

1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).

Bioorg. Med. Chem. Lett. 11(16) , 2061-5, (2001)

1,4-Disubstituted imidazole inhibitors of Staphylococcus aureus and Escherichia coli enoyl acyl carrier protein reductase (FabI) have been identified. Crystal structure data shows the inhibitor 1 boun...

Synonyms

1-Bromomethyl-3-nitrobenzene

3-Nitrobenzyl bromide

EINECS 223-557-3

α-Bromo-m-nitrotoluene

1-(Bromomethyl)-3-nitrobenzene

m-Nitro-α-bromotoluene

MFCD00007271

Toluene, α-bromo-m-nitro-

Benzene, 1- (bromomethyl)-3-nitro-

Benzene, 1-(bromomethyl)-3-nitro-

α-Bromo-3-nitrotoluene

3-Nitrobenzylbromide

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