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2'-Chloroacetoacetanilide

HCID 7156
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
93-70-9
Standard SMILES
CC(=O)CC(=O)Nc1ccccc1Cl
InChIKey
BFVHBHKMLIBQNN-UHFFFAOYSA-N
Molecular formula
C10H10ClNO2
Average molar mass
211.648 g/mol
Monoisotopic mass
211.04000624

Names & identifiers

Preferred name
2'-Chloroacetoacetanilide
IUPAC
N-(2-Chlorophenyl)-3-oxobutanamide
English name
2'-Chloroacetoacetanilide
Molecular formula
C10H10ClNO2
Molecular weight
211.64

Names & synonyms

AAOCAAAoCAKOS B029162TIMTEC-BB SBB0005182'-ChloroacetoacetanCHLOROACETOACETANILIDEo-Aetoacetochloranilide2′-Chloracetoacetanilido-AcetoacetchloranilideO-CHLOROACETOACETANILIDE

Database identifiers

CAS
93-70-9
PubChem CID
7156
DTXSID
DTXSID9052630
UNII
5KXO30B5F8
EC Number
202-269-1
Nikkaji
J4.681G

Properties

Physicochemical properties

Melting point
107 °C · 107°C
Boiling point
303 °C · 303°C (rough estimate)
Density
1.192 · 1.1920
vapor pressure
0 · 0-0.017Pa at 20-50℃
refractive index
1.579 · 1.5790 (estimate)
pka
10.87 · 10.87±0.46(Predicted)
form
Powder
color
White crystalline powder
LogP
1.32 at · 1.32 at 23℃
CAS DataBase Reference
93 · 93-70-9(CAS DataBase Reference)
FDA UNII
5 KXO30B5F8 · 5KXO30B5F8
EPA Substance Registry System
Butanamide, N-(2-chlorophenyl)-3-oxo- (93-70-9)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H412
Precautionary statements
501 · P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39-37
TSCA
TSCA listed
HS Code
29242990 · 29242990
Toxicity
50 orl-rat: · LD50 orl-rat: 11,600 mg/kg LONZA# 10JUL81
REACH Registrations
Active

Safety & regulation

Safety data

tsca
TSCA listed
hs_code
29242990
Toxicity
LD50 orl-rat: 11,600 mg/kg LONZA# 10JUL81
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39-37
Hazard statements
H315-H319-H412
REACH Registrations
Active
Precautionary statements
P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2'-Chloroacetoacetanilide is used as intermediate for the manufacture of organic pigments.

Preparation methods · 1 item

Preparation2'-Chloroacetoacetanilide is obtained by the reaction of o-chloroaniline and diketene. The reaction is carried out in an ethanol medium, and condensed at 25-30°C to obtain a fine product, which is filtered, washed and dried to obtain the finished product.

Upstream & downstream products

Upstream raw materials

Acetyl keteneAcetoxyacetic acid2-ChloroanilineMethane

Downstream products

Acid Yellow 116HANSA YELLOW 10GAcid Green 122Acid Yellow 116Acid Yellow 220

Suppliers79 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co

Related reactions

4 records
New reaction record
HRID 649308 reaction equation
HRID 649308As reactantuspto-grants-1988_04
HRID 649309 reaction equation
HRID 649309As reactantuspto-grants-1988_04
HRID 1526344 reaction equation
HRID 1526344As reactantuspto-grants-2015_07
HRID 2413100 reaction equation
HRID 2413100As reactantuspto-grants-1985_01

Compound notes

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