CAS 35245-26-2 3-[(Chloroacetyl)oxy]-N-(2-methylphenyl)naphthalene-2-carboximidic acid (HCID 160247)

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Basic information

CAS: 35245-26-2
Standard SMILES: Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCl
InChIKey: FMVKYSCWHDVMGO-UHFFFAOYSA-N
Molecular formula: C20H16ClNO3
Average molar mass: 353.805 g/mol
Monoisotopic mass: 353.08187105

Names & identifiers

Preferred name: 3-[(Chloroacetyl)oxy]-N-(2-methylphenyl)naphthalene-2-carboximidic acid
IUPAC: 3-[(Chloroacetyl)oxy]-N-(2-methylphenyl)naphthalene-2-carboximidic acid
English name: Naphthol as-d chloroacetate
Molecular formula: C20H16ClNO3
Molecular weight: 353.8

Names & synonyms

LEDER STAINNaphthol as-d chloroacetateNaphthol-AS-D-chloroacetate pureNAPHTHOL AS-D CHLOROACETATE CRYSTALLINENAPHTHOL AS-D-CHLOROACETATE, FOR HISTOLO GY3-HYDROXY-2-NAPHTHOIC-O-TOLUIDIDE CHLOROACETATENaphthol AS-D Chloroacetate (Specific Esterase) Kit2-(o-TolylcarbaMoyl)naphthalen-3-yl 2-chloroacetate3-[(2-Methylphenyl)carbamoyl]-2-naphthalenyl=chloroacetate3-[[(2-methylphenyl)amino]carbonyl]-2-naphthyl chloroacetate

Database identifiers

CAS: 35245-26-2
PubChem CID: 160247
DTXSID: DTXSID30956687
EC Number: 252-463-5
Nikkaji: J289.949C

Properties

Physicochemical properties

Melting point: 162 ° · 162°
Boiling point: 460.3 · 460.3±35.0 °C(Predicted)
Density: 1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
solubility: 50 mg/mL, · acetone: 50mg/mL, clear, colorless to faintly yellow
form: crystalline needles
pka: 12.33 · 12.33±0.70(Predicted)
color: White
InChI: 1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)
InChIKey: FMVKYSCWHDVMGO-UHFFFAOYSA-N
SMILES: Cc1ccccc1NC(=O)c2cc3ccccc3cc2OC(=O)CCl
CAS DataBase Reference: 35245 · 35245-26-2(CAS DataBase Reference)
UNSPSC Code: 12352204 · 12352204
NACRES: 83 · NA.83
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: F,C,T
Risk Statements: 19 · 19-34-11-35-20/21/22-61-46-45
Safety Statements: 22 · 22-24/25-45-36/37/39-26-16-53
WGK Germany: 3 · 3

Safety & regulation

Safety data

F: 8-10-21
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2924297099
risk_code: 19-34-11-35-20/21/22-61-46-45
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: F,C,T
safety_code: 22-24/25-45-36/37/39-26-16-53
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications

UsesNaphthol AS-D chloroacetate has been in a substrate solution for naphthol-AS-D-chloroacetate-esterase (CIAE) staining.

Suppliers39 total

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