N-Butyl chloroacetate

CAT: 0286-B28070-01Size: 100 gDry Ice: NoHazardous: Yes

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CAT#:0286-B28070-01Size:100 g

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CAS Number

590-02-3

UN Code

UN2922

Pictogram

05 - Corrosive; 07 - Irritant; 08 - Health Hazard

UDF Signal Word

Danger

MDL Number

MFCD00018925

Hazard Statement

H302 Harmful if swallowed; H311 Toxic in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Corrosive Liquid, Toxic, N.O.S.

DOT Classification

Class 8, 6.1

Packaging Group

PGIII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

Butyl chloroacetate

CAS Number	590-02-3
PubChem CID	11530
IUPAC Name	butyl 2-chloroacetate
Molecular Formula	C6H11ClO2
Molecular Weight	150.60
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	83

SMILES

CCCCOC(=O)CCl

InChI

InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

InChIKey

YJRGMUWRPCPLNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 590-02-3

CID: 11530

Formula: C6H11ClO2

MW: 150.60

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.60
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	150.0447573
Monoisotopic Mass	150.0447573
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
OR1078339-01	Tert-Butyl Chloroacetate
OR25298	Butyl 2-chloroacetate
TRC-B736890-500MG	sec-Butyl Chloroacetate
AAA14018	Benzyl chloroacetate
166572	Sodium α-Chloroacetate
TRC-D552460-50MG	Dodecyl Chloroacetate
14918-12	Ethyl Chloroacetate
455874-01	Methyl Chloroacetate
sc-253827	Vinyl chloroacetate
TRC-S615200-1KG	Sodium a-Chloroacetate

N-Butyl chloroacetate

Chemical Information

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