Basic information
- Standard SMILES
CNC(=O)CCl- InChIKey
HOZLOOPIXHWKCI-UHFFFAOYSA-N- Molecular formula
- C3H6ClNO
- Average molar mass
- 107.54 g/mol
- Monoisotopic mass
- 107.01379149
Names & identifiers
- Preferred name
- 2-chloro-N-methylacetamide
- IUPAC
- 2-chloro-N-methylacetamide
- English name
- 2-Chloro-N-methylacetamide
- Molecular formula
- C3H6ClNO
- Molecular weight
- 107.54
Names & synonyms
2-Chloro-N-methylacetamideN-Methyl-2-chloroacetamideN-MethylchloroacetamideAcetamide, 2-chloro-N-methyl-USAF DO-35alpha-Chloro-N-methylacetamide.alpha.-Chloro-N-methylacetamideNSC 1725EINECS 202-497-1BRN 1740634UNII-2WW385P414NSC-1725
Show more names
chloroacetylmethylamideusafdo-35WLN: G1VM1OTAVA-BB BB70204100712-chloro-n-methyl-acetamid
2WW385P414DTXSID602420654-04-00-00179 (Beilstein Handbook Reference)RefChem:86431DTXCID60164556202-497-1HOZLOOPIXHWKCI-UHFFFAOYSA-N96-30-0
Database identifiers
- CAS
96-30-0- PubChem CID
- 66773
- DTXSID
DTXSID60242065- ChEMBL
CHEMBL3352950- UNII
- 2WW385P414
- EC Number
- 202-497-1
- Nikkaji
- J54.062E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 54.8
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 38 · 38-40°C
- Boiling point
- 112 · 112-115°C 20mm
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.38 · 14.38±0.46(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
- InChIKey
- HOZLOOPIXHWKCI-UHFFFAOYSA-N
- SMILES
- C(NC)(=O)CCl
- CAS DataBase Reference
- 96 · 96-30-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 WW385P414 · 2WW385P414
- NIST Chemistry Reference
- ClCON(CH3)2(96-30-0)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Risk Statements
- 36 · 36/37/38-43-22
- Safety Statements
- 26 · 26-36/37/39-36/37-24
- WGK Germany
- 3 · WGK 3
- RTECS
- 5775000 · AB5775000
- HazardClass
- IRRITANT
- HS Code
- 29241990 · 29241990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (78%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAcetamide, 2-chloro-N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (78%)
Safety data
- wgk
- WGK 3
- rtecs
- AB5775000
- hs_code
- 29241990
- risk_code
- 36/37/38-43-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39-36/37-24
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-N-methylacetamide is an intermediate used to prepare piperidinylamino pyrrolopyrimidines as selective Janus kinase inhibitors for the treatment of autoimmune diseases and organ transplant rejection.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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Syntechem Co.,Ltd[email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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