3-Nitrobenzoyl chloride

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Names

[ CAS No. ]:
121-90-4

[ Name ]:
3-Nitrobenzoyl chloride

[Synonym ]:
3-Nitrobenzoyl chloride
MFCD00007247
EINECS 204-505-9
m-Nitrobenzoyl chloride
Benzoyl chloride, 3-nitro-

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
277.3±13.0 °C at 760 mmHg

[ Melting Point ]:
31-34 °C(lit.)

[ Molecular Formula ]:
C7H4ClNO3

[ Molecular Weight ]:
185.565

[ Flash Point ]:
121.5±19.8 °C

[ Exact Mass ]:
184.987976

[ PSA ]:
62.89000

[ LogP ]:
2.12

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

[ Index of Refraction ]:
1.589

[ Water Solubility ]:
decomposes

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM6646000
CHEMICAL NAME :
Benzoyl chloride, m-nitro-
CAS REGISTRY NUMBER :
121-90-4
BEILSTEIN REFERENCE NO. :
0777186
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H4-Cl-N-O3
MOLECULAR WEIGHT :
185.57
WISWESSER LINE NOTATION :
WNR CVG

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 :
2460 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
790 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H311-H314

[ Supplemental HS ]:
Risk of explosion if heated under confinement.

[ 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 ]:
R21;R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S7/9-S38

[ RIDADR ]:
UN 2923 8/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DM6646000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Nitrobenzoic acid
  • Oxalyl chloride
  • 3-Nitrobenzhydrazide
  • 3-Nitrobenzaldehyde
  • Methyl benzoate
  • Methyl 3-nitrobenzoate
  • Benzoyl chloride
  • m-nitrobenzoic anhydride
  • Carbon tetrachloride

DownStream

  • 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
  • (2-acetylphenyl) 3-nitrobenzoate
  • S-(3-nitrobenzoyl)sulfanyl 3-nitrobenzenecarbothioate
  • 3-nitrophenyl isocyanate
  • Benzamide,N-methyl-3-nitro-
  • 2-(3-aminophenyl)-1,3-benzoxazol-6-amine
  • (3N-[(2S,3S)-2-AMINO-3-METHYL-PENTANOYL]-1,3-THIAZOLIDINE)HEMIFUMARATE
  • Benzamide,3-nitro-N-(3-nitrophenyl)-
  • 3-NITROANILINE HYDROCHLORIDE
  • 3'-NITRO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Synthesis and cytotoxic effect of carbocyclic potential minor groove binders.

Il Farmaco 59(3) , 211-4, (2004)

New carbocyclic potential minor groove binders were synthesised, using 3-nitrobenzoyl chloride and aliphatic alpha,omega-diamines with three, four and five methylene fragments. The half structures, co...

The effect of inhibition of (ADP-ribose)n biosynthesis on DNA repair assayed by the nucleoid technique.

Eur. J. Biochem. 121(1) , 65-9, (1981)

DNA damage and repair was assayed by the loss and restoration of DNA supercoiling in nucleoids. This technique was used to assess the effects of inhibition of (ADP-ribose)n biosynthesis by 3-aminobenz...


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Related Compounds

  • 2-iodo-3-nitrobenzoyl chloride
  • 4-bromo-3-nitrobenzoyl chloride
  • 2-methyl-3-nitrobenzoyl chloride
  • 2-Fluoro-3-nitrobenzoyl chloride
  • 4-Methyl-3-nitrobenzoyl chloride
  • 2-chloro-3-nitrobenzoyl chloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-(Aminooxy)acetohydrazide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide