Benzyl chloroacetate

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Names

[ CAS No. ]:
140-18-1

[ Name ]:
Benzyl chloroacetate

[Synonym ]:
benzyl monochloroacetate
chloroacetic acid benzyl ester
Acetic acid, 2-chloro-, phenylmethyl ester
Acetic acid,chloro-,phenylmethyl ester
MFCD00157062
Benzyl α-chloroacetate
Benzyl monochloracetate
Benzyl chloroacetate
chloroacetic acid phenylmethyl ester
Monochloroacetate
EINECS 205-400-0
BENZYL 2-CHLOROACETATE
Acetic acid,chloro-,benzyl ester
phenylmethyl 2-chloroacetate

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
252.8±15.0 °C at 760 mmHg

[ Melting Point ]:
90ºC

[ Molecular Formula ]:
C9H9ClO2

[ Molecular Weight ]:
184.620

[ Flash Point ]:
117.9±15.8 °C

[ Exact Mass ]:
184.029114

[ PSA ]:
26.30000

[ LogP ]:
2.20

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.525

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF8750000
CHEMICAL NAME :
Acetic acid, chloro-, benzyl ester
CAS REGISTRY NUMBER :
140-18-1
BEILSTEIN REFERENCE NO. :
2091502
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-Cl-O2
MOLECULAR WEIGHT :
184.63
WISWESSER LINE NOTATION :
G1VO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,99,1956

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AF8750000

[ HS Code ]:
2915400090

Synthetic Route

Precursor & DownStream

Precursor

  • Chloroacetic acid
  • Benzyl alcohol
  • p-Toluenesulfonic acid
  • sodium sulfate
  • Chloroacetyl chloride
  • diphenyl-phenylmethoxy-phosphane
  • Benzylamine
  • methyl chloroacetate
  • Benzyl diazoacetate
  • 2-chloro-N-phenylmethoxyacetamide

DownStream

  • Benzyl (dimethoxyphosphoryl)acetate
  • Benzyl acetate
  • BENZYL 2-(BENZYLOXY)ACETATE
  • trimethyl-(2-oxo-2-phenylmethoxyethyl)azanium,chloride
  • Benzyl cinnamate
  • Chloroacetic acid
  • 2-benzyl-1,3,5-trimethyl-benzene
  • Aceclofenac Benzyl Ester
  • Benzyl 2-(triphenylphosphoranylidene)acetate
  • Diethyl(benzyloxycarbonylmethyl)phosphonate

Customs

[ HS Code ]: 2915400090

[ Summary ]:
2915400090 mono-, di- or trichloroacetic acids, their salts and esters

Articles

Synthesis and anti-herpes simplex activity of analogues of phosphonoacetic acid.

J. Med. Chem. 20(5) , 660-3, (1977)

The synthesis of monoesters (P and C) of phosphonoacetic acid (PA) is given. The carboxyl esters were prepared by two methods: the reaction of chloroacetates with tris(trimethylsilyl) phosphite, follo...

Influence of the substrate structure on carboxypeptidase Y catalyzed peptide bond formation. Breddam K, et al.

Carlsberg Res. Commun. 45(5) , 361-67, (1980)

Stereoselective total syntheses of the (±)-di-O-methyl ethers of agatharesinol, sesquirin-A, and hinokiresinol, and of (±)-tri-O-methylsequirin-E, characteristic norlignans of coniferae. Beracierta AP and Whiting DA.

J. Chem. Soc. Perkin Trans. I 10 , 1257-63, (1978)


More Articles


Related Compounds

  • benzyl N-[1-phenyl-5-(pyrrol-1-yl)-1H-pyrazol-4-yl]carbamate
  • Benzyl (2R,3S,5S)-3-(benzyloxy)-2-hexyl-5-hydroxyhexadecanoate
  • Benzyl 3-isothiocyanatophenyl ether
  • Benzyl 5-Fluoropiperidin-3-Ylcarbamate Hydrochloride
  • Benzyl (5-Methylazepan-4-Yl)Carbamate
  • Benzyl alcohol, .alpha.-(1-bromoethyl)-, formate, threo-
  • Sodium 4,7-dichloroquinoline-8-sulfinate
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1S)-2-[(1S,2S)-2-[(S)-(acetyloxy)[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]methyl]cyclopropyl]-1-methyl-2-oxoethyl ester, (2E)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1S)-2-[(1S,2S)-2-[(S)-(acetyloxy)[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]methyl]cyclopropyl]-1-methyl-2-oxoethyl ester, (2Z)-
  • 3-(1-Amino-3-methylbutyl)-2,6-difluoroaniline
  • Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-6a(2)-hydroxy-2a(2),4,6-trimethoxy-6a(2)-methyl-, (1a(2)R,6a(2)R)-rel-(-)-
  • 3-Chloro-4,5,6,7-tetrafluoro-1,2-benzothiazole
  • [1-(2-Fluoro-3-methylphenyl)cyclopropyl]methanol
  • 2-(2-Methoxyethyl)azetidine; trifluoroacetic acid
  • 3-(3,5-Dichlorophenyl)-4,4-difluorobutanoic acid
  • [1-(Cyclopentylmethyl)-3,3-difluorocyclobutyl]methanamine
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