Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
Basic information
- CAS
19749-93-0- Standard SMILES
CCOC(=O)Cc1csc(NC(=O)CCl)n1- InChIKey
HIQNYVMHIBFTCT-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O3S
- Average molar mass
- 262.71 g/mol
- Monoisotopic mass
- 262.0178911
Names & identifiers
- Preferred name
- Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
- IUPAC
- ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetate
- English name
- Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
- Molecular formula
- C9H11ClN2O3S
- Molecular weight
- 262.71
Names & synonyms
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetateRefChem:593694624-242-719749-93-0ethyl {2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}acetateMFCD00274638ethyl 2-[2-(2-chloroacetamido)-1,3-thiazol-4-yl]acetateethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetateEthyl (2-[(chloroacetyl)amino]-1,3-thiazol-4-yl)acetate4-Thiazoleacetic acid, 2-[(2-chloroacetyl)amino]-, ethyl esterethyl 2-(2-(2-chloroacetamido)thiazol-4-yl)acetate4-Thiazoleacetic acid, 2-[(chloroacetyl)amino]-, ethyl ester
Show more names
TIMTEC-BB SBB003081OTAVA-BB BB7020310250Ethyl 2-(2-chloroacetamido)-4-thiazoleacetat4-Carbethoxymethyl-2-[(.alpha.-haloacyl)amino]thiazoleETHYL (2-((CHLOROACETYL)AMINO)-1,3-THIAZOL-4-YL)ACETATEETHYL 2-(2-[(2-CHLOROACETYL)AMINO]-1,3-THIAZOL-4-YL)ACETATEethyl 2-[2-(2-chloroethanoylamino)-1,3-thiazol-4-yl]ethanoate
ethyl 2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]acetateethyl 2-{2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl}acetateethyl 2-[2-(2-chloroacetylamino)-1,3-thiazol-4-yl]acetateETHYL [2-[(CHLOROACETYL)AMINO]-1,3-THIAZOL-4-YL]ACETATESCHEMBL6520420SCHEMBL11180384SCHEMBL111803862-[(Chloroacetyl)amino]-4-[(ethoxycarbonyl)methyl]thiazole
Database identifiers
- CAS
19749-93-0- PubChem CID
- 470180
- DTXSID
DTXSID70332860- EC Number
- 624-242-7
- Nikkaji
- J1.366.573G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 146 · 146-148 °C (lit.)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.50(Predicted)
- InChI
- 1S/C9H11ClN2O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4H2,1H3,(H,11,12,13)
- InChIKey
- HIQNYVMHIBFTCT-UHFFFAOYSA-N
- SMILES
- CCOC(=O)Cc1csc(NC(=O)CCl)n1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- 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
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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