4-Nitrobenzyl chloride

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Names

[ CAS No. ]:
100-14-1

[ Name ]:
4-Nitrobenzyl chloride

[Synonym ]:
α-Chloro-4-nitrotoluene
Benzene, 1- (chloromethyl)-4-nitro-
Toluene, α-chloro-p-nitro-
α-Chloro-p-nitrotoluene
EINECS 202-822-7
MFCD00007374
4-Nitrobenzyl chloride
Benzene, 1-(chloromethyl)-4-nitro-
1-(Chloromethyl)-4-nitrobenzene

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
292.5±15.0 °C at 760 mmHg

[ Melting Point ]:
71 °C

[ Molecular Formula ]:
C7H6ClNO2

[ Molecular Weight ]:
171.581

[ Flash Point ]:
130.7±20.4 °C

[ Exact Mass ]:
171.008713

[ PSA ]:
45.82000

[ LogP ]:
2.22

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.574

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, bases, amines, moisture, alcohols. Corrodes steel. Reacts slowly with water. Combustible.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XS9093000
CHEMICAL NAME :
Toluene, alpha-chloro-p-nitro-
CAS REGISTRY NUMBER :
100-14-1
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C7-H6-Cl-N-O2
MOLECULAR WEIGHT :
171.59
WISWESSER LINE NOTATION :
WNR D1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1809 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
280 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/m3/6H/2W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
100 umol/L
REFERENCE :
JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 3,203,1983

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-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 ]:
R22;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XS9093000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2904909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (4-Nitrophenyl)methanol
  • Benzyl chloride
  • 4-Nitrophenylacetic acid
  • 2-(2-tert-butyldimethylsiloxyethyl)-4H-benzo[1,4]oxazin-3-one
  • 4-Nitrotoluene
  • 4-Nitrobenzaldehyde
  • (4-Nitrobenzyl)(trimethylsilyl) ether
  • P-NITROBENZYL IODIDE
  • 1-(fluoromethyl)-4-nitrobenzene

DownStream

  • (4-Nitrobenzyl)malonic acid
  • Benzene,1-(2-methyl-2-nitropropyl)-4-nitro-
  • 1-(2-methylprop-1-enyl)-4-nitrobenzene
  • 2-methyl-4-nitro-1-[(4-nitrophenyl)methyl]imidazole
  • 3-methyl-2-(3-methylsulfanylpropyl)cyclohex-2-en-1-ol,4-nitrobenzoic acid
  • 4-Nitrophenylacetonitrile
  • 1-Ethyl-4-(4-nitrobenzyl)piperazine
  • 4-Aminobenzylamine
  • 4,4'-azobisbenzoic acid
  • Benzoic acid,4,4'-(1-oxido-1,2-diazenediyl)bis-

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 heme model system for the reduction of substrates by microsomal cytochrome P 450.

Biochem. Biophys. Res. Commun. 104(4) , 1651-7, (1982)

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...

Hepatic and branchial glutathione S-transferases of two fish species: substrate specificity and biotransformation of microcystin-LR.

Comp. Biochem. Physiol. C. Toxicol. Pharmacol. 149(4) , 515-23, (2009)

Liver and gills of roach (Rutilus rutilus) and silver carp (Hypophthalmichthys molitrix) were examined for glutathione S-transferases (GSTs) contents and their substrate specificity and capacity to bi...


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Related Compounds

  • 3-chloro-4-nitrobenzyl chloride
  • 3-Methyl-4-nitrobenzyl chloride
  • 2-chloro-4-nitrobenzyl chloride
  • 3-methoxy-4-nitrobenzyl chloride
  • 4-Chloro-2-nitrobenzyl chloride
  • 4-METHYL-3-NITROBENZYL CHLORIDE
  • 5-(2,3-Dihydrobenzofuran-5-yl)thiazol-2-amine
  • Ethyl 2-(5-amino-2-methylphenyl)acetate
  • 2-Pyridinamine, N-[(2-methyl-4-thiazolyl)methyl]-5-(trifluoromethyl)-
  • Methyl 3-cyano-4-propoxybenzoate
  • I(2)-Alanine, N-(1-cyanopropyl)-N-(1-methylethyl)-
  • 3-(4-(Hydroxymethyl)piperidin-1-yl)benzo[d]isothiazole 1,1-dioxide
  • 1-pentyl-1H-pyrrolo[1,2-b]pyrazole-2,3-dione
  • 5-(3-Chlorophenylethynyl)-nicotinonitrile
  • 2-Fluoro-5-iodo-N-methylbenzamide
  • 3-Pyridin-3-ylethynyl-benzonitrile