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Carbobenzoxy chloride 95%

CAT: 0286-C03670Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-C03670Size:25 g
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CAS Number
501-53-1
Synonyms
Benzyl chloroformate; Chlorocarbonyl acid benzyl ester; Carbonochloride acid benzylester
UN Code
UN1739
Pictogram
05 - Corrosive; 06 - Acute Toxicity; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00000640
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H330 Fatal if inhaled; H335 May cause respiratory irritation; H410 Very toxic to aquatic life with long-lasting effects.
Other Statements
EUH014 Reacts violently with water; EUH029 Contact with water liberates toxic gas
DOT Name
Benzyl Chloroformate
DOT Classification
Class 8
Packaging Group
PGI
Precautions
P231+P232 Handle under inert gas. Protect from moisture; P233 Keep container tightly closed; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzyl chloroformate

Benzyl chloroformate appears as a colorless liquid with an acrid odor. Vapors irritate eyes and mucous membranes. Corrosive to metals and tissue. Long-term inhalation of low concentrations or short-term inhalation of high concentrations can result in adverse health effects.

CAS Number501-53-1
PubChem CID10387
IUPAC Namebenzyl carbonochloridate
Molecular FormulaC8H7ClO2
Molecular Weight170.59
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
C1=CC=C(C=C1)COC(=O)Cl
InChI
InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
HSDAJNMJOMSNEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl chloroformate
CAS: 501-53-1
CID: 10387
Formula: C8H7ClO2
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass170.0134572
Monoisotopic Mass170.0134572
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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