Basic information
- CAS
5875-24-1- Standard SMILES
NC(=O)CCCl- InChIKey
JQDXZJYAUSVHDH-UHFFFAOYSA-N- Molecular formula
- C3H6ClNO
- Average molar mass
- 107.54 g/mol
- Monoisotopic mass
- 107.0137915
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Chloropropanamide
- IUPAC
- 3-chloropropanamide
- English name
- 3-Chloropropionamide
- Molecular formula
- C3H6ClNO
- Molecular weight
- 107.54
Names & synonyms
3-Chloropropionamide3-Chloropropanamide5875-24-1Chloropropionamide1A4DT52KJVNSC-401789RefChem:93532227-542-2Propanamide, 3-chloro-MFCD000080403-Chloro-propionamideCHEMBL171266
Show more names
3-chloropylamide3-CHLOROPROPIONAMIDE 98%
EINECS 227-542-23-chloro-propanamideNSC 4017893-Chloropropanamide #AI3-21062Tropicamide Impurity 373-Chloropropanimidic acidUNII-1A4DT52KJV
Database identifiers
- CAS
5875-24-1- PubChem CID
- 79982
- DTXSID
DTXSID70974269- ChEMBL
CHEMBL171266- UNII
- 1A4DT52KJV
- EC Number
- 227-542-2
- Nikkaji
- J223B
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.8
Physicochemical properties
- Melting point
- 98 · 98-101 °C (lit.)
- Boiling point
- 286.2 · 286.2±23.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 15.92 · 15.92±0.40(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
- InChIKey
- JQDXZJYAUSVHDH-UHFFFAOYSA-N
- SMILES
- NC(=O)CCCl
- CAS DataBase Reference
- 5875 · 5875-24-1(CAS DataBase Reference)
- FDA UNII
- 1 A4DT52KJV · 1A4DT52KJV
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2924190090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
Chemistry & industry
Applications
Uses3-Chloropropionamide was used as alkylating agent in the synthesis of 1-(2-carbamoyl-ethyl)indole-3-acetic acid.
Upstream & downstream products
Downstream products
Suppliers43 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
常州金和生物科技有限公司18796930758 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
Related reactions
10 records
Compound notes
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