Basic information
- CAS
55710-80-0- Standard SMILES
CC(C)(C)OC(=O)CCCl- InChIKey
PGULCJLBEJUCRO-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Tert-butyl 3-chloropropanoate
- IUPAC
- tert-butyl 3-chloropropanoate
- English name
- t-Butyl 3-chloropropanoate
- Molecular formula
- C7H13ClO2
- Molecular weight
- 164.63
Names & synonyms
tert-butyl 3-chloropropanoate55710-80-0DTXSID80335206RefChem:383376DTXCID90286295825-556-9t-Butyl 3-chloropropanoateMFCD01569942Propanoic acid, 3-chloro-, 1,1-dimethylethyl esterPropanoic acid, 3-chloro, 1,1-dimethylethyl estertert-butyl3-chloropropanoatet-butyl 3-chloropropan-oate
Show more names
SCHEMBL1410283tert-butyl beta -chloropropionateAKOS006279264DS-7643DA-04899SY023053CS-0235736EN300-160471
Database identifiers
- CAS
55710-80-0- PubChem CID
- 523716
- DTXSID
DTXSID80335206- EC Number
- 825-556-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 183.5 · 183.5±13.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2915907098 · 2915907098
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2915907098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
韶远科技(上海)有限公司4000665055 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
2 records
Compound notes
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