Basic information
- CAS
5326-92-1- Standard SMILES
CC(C)CCOC(=O)CCl- InChIKey
UZQBACINTKFBSX-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- 3-Methylbutyl chloroacetate
- IUPAC
- 3-methylbutyl 2-chloroacetate
- English name
- 3-methylbutyl chloroacetate
- Molecular formula
- C7H13ClO2
- Molecular weight
- 164.63
Names & synonyms
3-Methylbutyl chloroacetate5326-92-1Acetic acid, chloro-, 3-methylbutyl esterEINECS 226-207-8AI3-03062DTXSID30967834NSC 40855376-92-1RefChem:504176DTXCID901395429226-207-83-methylbutyl 2-chloroacetate
Show more names
UZQBACINTKFBSX-UHFFFAOYSA-NChloroacetic acid isopentyl esterAcetic acid, 2-chloro-, 3-methylbutyl ester
Chloroacetic acid 3-methylbutyl esterchloro-acetic acid isopentyl esterIsopentyl chloroacetateIsopentyl chloroacetate #SCHEMBL2035002NSC4085NSC-4085SBB060961
Database identifiers
- CAS
5326-92-1、5376-92-1- PubChem CID
- 79227
- DTXSID
DTXSID30967834- EC Number
- 226-207-8
- Nikkaji
- J298.005C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 194 · 194-196 °C(Press: 649.997 Torr)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…