MCPBA

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Names

[ CAS No. ]:
937-14-4

[ Name ]:
MCPBA

[Synonym ]:
3-Chloroperbenzoic acid
QOVR CG
m-Chloroperbenzoic acid
MCPBA
3-Chloroperoxybenzoic acid
meta-chloroperbenzoic acid
perbenzoic acid, 3-chloro-
3-Chlorobenzenecarboperoxoic acid
m-Chloroperoxybenzoic acid
m-CPBA
EINECS 213-322-3
Perbenzoic acid, m-chloro-
Peroxybenzoic acid, m-chloro-
Benzenecarboperoxoic acid, 3-chloro-
MFCD00002127

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
305.5±44.0 °C at 760 mmHg

[ Melting Point ]:
69-71 °C(lit.)

[ Molecular Formula ]:
C7H5ClO3

[ Molecular Weight ]:
172.566

[ Flash Point ]:
138.6±28.4 °C

[ Exact Mass ]:
171.992722

[ PSA ]:
46.53000

[ LogP ]:
2.32

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.576

[ Stability ]:
Strong oxidizing agent - contact with combustible material may cause fire. May be shock or heat sensitive. Incompatible with organic materials, strong reducing agents.

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SD9470000
CHEMICAL NAME :
Peroxybenzoic acid, m-chloro-
CAS REGISTRY NUMBER :
937-14-4
BEILSTEIN REFERENCE NO. :
0608317
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H5-Cl-O3
MOLECULAR WEIGHT :
172.57
WISWESSER LINE NOTATION :
QOVR CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21 gm/kg/52W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 55,1359,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3742 No. of Facilities: 140 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2373 (estimated) No. of Female Employees: 698 (estimated)

Safety Information

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R22;R34;R7

[ Safety Phrases ]:
S17-S26-S36/37-S45-S36/37/39-S3/7-S14

[ RIDADR ]:
UN 3106 5.2

[ WGK Germany ]:
3

[ RTECS ]:
SD9470000

[ Packaging Group ]:
II

[ Hazard Class ]:
5.2

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Chlorobenzoic Acid
  • 3-Chlorobenzoyl chloride
  • 4-Bromthiophen-2-carbaldehyd
  • Dimethyl disulfide

DownStream

  • 1,4,9-trioxaspiro[4.6]undecan-8-one
  • 2,6-Diamino-4-chloropyrimidine 1-oxide
  • Benzene,[(3-chloropropyl)thio]-
  • 4-Bromophenyl methyl sulfone
  • 6-Hexanolactone
  • Cyclohexanone
  • Chlorobenzene
  • Cyclohexanol
  • Bicalutamide
  • 1-Octanol

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • MCPBA
  • mCPBA
  • 1-(2-cyclopropylpropyl)-6-fluoro-1H-1,2,3-benzotriazole-5-carboxylic acid
  • 1-(2-cyclopropylpropyl)-5-iodo-1H-1,2,3-benzotriazole
  • 4-bromo-1-(2-cyclopropylpropyl)-1H-1,2,3-benzotriazole
  • 5-bromo-1-(2-cyclopropylpropyl)-1H-1,2,3-benzotriazole
  • 6-bromo-1-(2-cyclopropoxyethyl)-5-methyl-1H-1,2,3-benzotriazole
  • 3-((6-Bromo-1H-benzo[d][1,2,3]triazol-1-yl)methyl)tetrahydro-2H-thiopyran 1,1-dioxide
  • tert-butyl 4-(6-amino-1H-1,2,3-benzotriazol-1-yl)piperidine-1-carboxylate
  • tert-butyl 3-(6-bromo-1H-1,2,3-benzotriazol-1-yl)pyrrolidine-1-carboxylate
  • tert-butyl 2-[(6-bromo-1H-1,2,3-benzotriazol-1-yl)methyl]piperidine-1-carboxylate
  • tert-butyl 3-(6-bromo-1H-1,2,3-benzotriazol-1-yl)piperidine-1-carboxylate
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