Basic information
- CAS
5396-24-7- Standard SMILES
CCCOC(=O)CCl- InChIKey
QJZNRCWAXUGABH-UHFFFAOYSA-N- Molecular formula
- C5H9ClO2
- Average molar mass
- 136.58 g/mol
- Monoisotopic mass
- 136.0291072
Names & identifiers
- Preferred name
- Propyl chloroacetate
- IUPAC
- propyl 2-chloroacetate
- English name
- Propyl chloroacetate
- Molecular formula
- C5H9ClO2
- Molecular weight
- 136.58
Names & synonyms
Propyl chloroacetate5396-24-7Chloroacetic acid propyl esterAcetic acid, chloro-, propyl esterT8D5ZJV264NSC-1205EINECS 226-411-7AI3-39183Chloroacetic acid, propyl esterDTXSID80202247NSC 1205ACETIC ACID, 2-CHLORO-, PROPYL ESTER
Show more names
propyl 2-chloroethanoate2-chloroacetic acid propyl ester4-BRORNO-2'',4''-DICHLOROCHALCONE2-oxaspiro[2.5]octane-4,5,6,7,8-pentol
RefChem:176483DTXCID80124738226-411-7QJZNRCWAXUGABH-UHFFFAOYSA-Npropyl 2-chloroacetatePropylchloracetatAcetic acid, 2-chloro-,propyl estern-propyl chloroacetate
Database identifiers
- CAS
5396-24-7- PubChem CID
- 79378
- DTXSID
DTXSID80202247- UNII
- T8D5ZJV264
- EC Number
- 226-411-7
- Nikkaji
- J43.575I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 181.12 °C · 181.12°C (rough estimate)
- Density
- 1.104 · 1.1040
- refractive index
- 1.4261 · 1.4261
- InChI
- InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
- InChIKey
- QJZNRCWAXUGABH-UHFFFAOYSA-N
- SMILES
- C(OCCC)(=O)CCl
- FDA UNII
- 8 D5ZJV264 · T8D5ZJV264
- NIST Chemistry Reference
- Chloroacetic acid propyl ester(5396-24-7)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
上海石洋化工有限公司+86-021-56795779 +86-13651600618 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
武汉青风凯默生物医药科技有限公司18672943286 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
哈辉（上海）医药技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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