Basic information
- CAS
27816-36-0- Standard SMILES
CC(Cl)C(N)=O- InChIKey
OEZPDHRXGCLGKB-UHFFFAOYSA-N- Molecular formula
- C3H6ClNO
- Average molar mass
- 107.54 g/mol
- Monoisotopic mass
- 107.01379149
Names & identifiers
- Preferred name
- 2-Chloropropanamide
- IUPAC
- 2-chloropropanamide
- English name
- 2-CHLOROPROPIONAMIDE
- Molecular formula
- C3H6ClNO
- Molecular weight
- 107.54
Names & synonyms
2-Chloropropionamide2-Chloropropanamide27816-36-0DTXSID809504932CPA-amideRefChem:86531DTXCID701378651248-671-0Propanamide, 2-chloro-MFCD00008016a-Chloropropionamide2-Chloropropionic acid amide
Show more names
2-chloropylamide2-Chloroopropanamide2-Chloropropionamide,98%2-Chloropropionamide,99%2-CHLOROPROPIONAMIDE 98%
7474-02-4(2R)-2-chloropropanamideEINECS 248-671-0AI3-041202-Chloropropionamide, 98%SCHEMBL609764SCHEMBL1086296SCHEMBL10701762
Database identifiers
- CAS
27816-36-0、7474-02-4、7474-04-6- PubChem CID
- 94385
- DTXSID
DTXSID80950493- EC Number
- 248-671-0
- Nikkaji
- J27.707J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 63.8
Physicochemical properties
- Melting point
- 77 · 77-81 °C (lit.)
- Boiling point
- 239.8 · 239.8±13.0 °C(Predicted)
- Density
- 1.1079 · 1.1079 (rough estimate)
- refractive index
- 1.451 · 1.4510 (estimate)
- pka
- 14.69 · 14.69±0.50(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- InChI
- 1S/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
- InChIKey
- OEZPDHRXGCLGKB-UHFFFAOYSA-N
- SMILES
- CC(Cl)C(N)=O
- CAS DataBase Reference
- 27816 · 27816-36-0
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29241900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers41 total
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
6 records
Compound notes
Loading…