Basic information
- CAS
41789-28-0- Standard SMILES
CNC(=O)CCCl- InChIKey
UZWXYEHTFDWCIS-UHFFFAOYSA-N- Molecular formula
- C4H8ClNO
- Average molar mass
- 121.56 g/mol
- Monoisotopic mass
- 121.0294416
Names & identifiers
- Preferred name
- 3-Chloro-N-methylpropanamide
- IUPAC
- 3-chloro-N-methylpropanamide
- English name
- 3-chloro-N-methylpropanamide
- Molecular formula
- C4H8ClNO
- Molecular weight
- 121.57
Names & synonyms
3-chloro-n-methylpropanamide41789-28-0Propanamide, 3-chloro-N-methyl-7J8W0D8SBI3-Chloro-N-methylpropionamideN-Methyl-3-chloropropionamidePropionamide, 3-chloro-N-methyl-NSC-67663UNII-7J8W0D8SBIDTXSID40290246NSC 67663RefChem:93494
Show more names
3-chloro-N-methyl-propionamide3-chloro-N-methylpropanamide(SALTDATA: FREE)
DTXCID20241392801-016-83-chloro-N-methyl-propanamideMFCD029735983-Chlor-N-methyl-propionamidNSC67663SCHEMBL671686SCHEMBL8813679
Database identifiers
- CAS
41789-28-0- PubChem CID
- 249378
- DTXSID
DTXSID40290246- UNII
- 7J8W0D8SBI
- EC Number
- 801-016-8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physicochemical properties
- Melting point
- 65 · 65.0-65.5 °C
- Boiling point
- 270.9 · 270.9±23.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 15.68 · 15.68±0.46(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 7 J8W0D8SBI · 7J8W0D8SBI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海环琪生物科技有限公司13524106587 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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