Basic information
- CAS
13916-39-7- Standard SMILES
CCCNC(=O)CCl- InChIKey
SHWUYQDIJUWTPM-UHFFFAOYSA-N- Molecular formula
- C5H10ClNO
- Average molar mass
- 135.59 g/mol
- Monoisotopic mass
- 135.04509162
Names & identifiers
- Preferred name
- 2-chloro-N-propylacetamide
- IUPAC
- 2-chloro-N-propylacetamide
- English name
- 2-Chloro-N-propylacetamide
- Molecular formula
- C5H10ClNO
- Molecular weight
- 135.59
Names & synonyms
2-chloro-N-propylacetamideDTXSID30278573RefChem:470345DTXCID20229731836-346-113916-39-7Acetamide, 2-chloro-N-propyl-MFCD01355490Acetamide,2-chloro-N-propyl-NSC8268N-(propyl)chloroacetamide2-chloro-N-propyl-acetamide
Show more names
AKOS BBS-00006591OTAVA-BB BB70204100832-chloro-N-propyl-ethanamidealpha-chloro-n-propylacetamide2-chloro-N-propylacetamide(SALTDATA: FREE)
SCHEMBL269527SCHEMBL1586181SHWUYQDIJUWTPM-UHFFFAOYSA-NALBB-013141NSC-8268SBB016586AKOS0001042672-Chloro-N-propylacetamide, AldrichCPR
Database identifiers
- CAS
13916-39-7- PubChem CID
- 222357
- DTXSID
DTXSID30278573- EC Number
- 836-346-1
- Nikkaji
- J1.970.378I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.8
Physicochemical properties
- Boiling point
- 105 · 105-106 °C(Press: 10.5 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- pka
- 14.38 · 14.38±0.46(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C5H10ClNO/c1-2-3-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
- InChIKey
- SHWUYQDIJUWTPM-UHFFFAOYSA-N
- SMILES
- ClCC(=O)NCCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
Safety & regulation
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)
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
- 2924297099
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
深圳法默科技有限公司0755-86648230 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海贤鼎生物科技有限公司4009209199 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
2 records
Compound notes
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