4-nitrobenzylbromide

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Names

[ CAS No. ]:
100-11-8

[ Name ]:
4-nitrobenzylbromide

[Synonym ]:
α-Bromoparanitrotoluene
1-(Bromomethyl)-4-nitrobenzene
Benzene, 1- (bromomethyl)-4-nitro-
Toluene, α-bromo-4-nitro-
α-Bromo-4-nitrotoluene
α-Bromo-p-nitrotoluene
4-nitrobenzylbromide
MFCD00007373
EINECS 202-820-6
Benzene, 1-(bromomethyl)-4-nitro-
Toluene, α-bromo-p-nitro-
4-Nitrobenzyl bromide

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
304.2±17.0 °C at 760 mmHg

[ Melting Point ]:
98 °C

[ Molecular Formula ]:
C₇H₆BrNO₂

[ Molecular Weight ]:
216.032

[ Flash Point ]:
137.8±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

[ Stability ]:
Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS7967000

CHEMICAL NAME :: Toluene, alpha-bromo-p-nitro-

CAS REGISTRY NUMBER :: 100-11-8

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C7-H6-Br-N-O2

MOLECULAR WEIGHT :: 216.05

WISWESSER LINE NOTATION :: WNR D1E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Rodent - rat Liver

DOSE/DURATION :: 10 umol/L

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
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-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XS7967000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29049085

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(4-Nitrophenyl)methanol
Ammonium acetate
Tetrabromomethane
4-Nitrobenzaldehyde
4-Nitrotoluene
Benzene,1-(dibromomethyl)-4-nitro-
(4-Nitrobenzyl)(trimethylsilyl) ether
3-Methoxybenzyl alcohol
4-nitro-1-[(ethoxymethoxy)methyl]benzene

DownStream

1-but-3-enyl-4-nitrobenzene
1-[(4-nitrophenyl)methyl]pyrrole
5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoate
1-(2-methylprop-1-enyl)-4-nitrobenzene
2-methyl-4-nitro-1-[(4-nitrophenyl)methyl]imidazole
3-Fluorobenzyl chloride
4-Nitrophenylacetonitrile
4-Aminobenzylamine
(4-nitrophenyl)methyl 4-methoxybenzoate
1-methoxy-3-[2-(4-nitrophenyl)ethenyl]benzene

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%

Articles

A case of multiple sensitization to three halogeno-substituted mono-nitrobenzenes.

Ital. Gen. Rev. Dermatol. 15(2) , 107-12, (1978)

A case of occupational contact dermatitis in a female chemical pharmaceutical laboratory researcher is described. The allergological investigation revealed a state of sensitization to three mono-nitro...

Synthesis of p, p'-divinylazobenzene.

Di Yi Jun Yi Da Xue Xue Bao 23(3) , 273-6, (2003)

To synthesize p, p'-divinylazobenzene (DVAB).Wittig reagent was initially synthesized using P-nitrobenzyl bromide and triphenylphosphine, followed by reaction with formaldehyde to produce p-nitro styr...

Allergic contact dermatitis from para-nitrobenzyl bromide.

Contact Dermatitis 38(4) , 232, (1998)