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Butyl chloroformate 95%

CAT: 0286-B28110-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-B28110-01Size:100 g
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CAS Number
592-34-7
UN Code
UN2743
Pictogram
02 - Flammable; 05 - Corrosive; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00000650
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H331 Toxic if inhaled; H335 May cause respiratory irritation.
DOT Name
N-Butyl Chloroformate
DOT Classification
Class 6.1, 3, 8
Packaging Group
PGI
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P242 Use only non-sparking tools; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

Butyl chloroformate

N-butyl chloroformate appears as a colorless liquid. Flash point near 70 °F. Very toxic by inhalation. Denser than water. Used to make other chemicals.

CAS Number592-34-7
PubChem CID61140
IUPAC Namebutyl carbonochloridate
Molecular FormulaC5H9ClO2
Molecular Weight136.58
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CCCCOC(=O)Cl
InChI
InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChIKey
NRDQFWXVTPZZAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl chloroformate
CAS: 592-34-7
CID: 61140
Formula: C5H9ClO2
MW: 136.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.58
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass136.0291072
Monoisotopic Mass136.0291072
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
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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