Acetoacet-o-chloranilide

Modify Date: 2025-08-21 08:08:42

Acetoacet-o-chloranilide Structure
Acetoacet-o-chloranilide structure
Common Name Acetoacet-o-chloranilide
CAS Number 93-70-9 Molecular Weight 211.645
Density 1.3±0.1 g/cm3 Boiling Point 391.7±27.0 °C at 760 mmHg
Molecular Formula C10H10ClNO2 Melting Point 107°C
MSDS N/A Flash Point 190.7±23.7 °C

 Names

Name 2'-Chloroacetoacetanilide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 391.7±27.0 °C at 760 mmHg
Melting Point 107°C
Molecular Formula C10H10ClNO2
Molecular Weight 211.645
Flash Point 190.7±23.7 °C
Exact Mass 211.040009
PSA 46.17000
LogP 1.05
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.579
InChIKey BFVHBHKMLIBQNN-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)Nc1ccccc1Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AK4300000
CHEMICAL NAME :
Acetoacetanilide, 2'-chloro-
CAS REGISTRY NUMBER :
93-70-9
BEILSTEIN REFERENCE NO. :
2212748
LAST UPDATED :
199801
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H10-Cl-N-O2
MOLECULAR WEIGHT :
211.66
WISWESSER LINE NOTATION :
GR BMV1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Blood - normocytic anemia
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 10JUL1981

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
RTECS AK4300000
HS Code 2924299090

 Synthetic Route

~90%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Suresh; Swamy; Reddy Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007 , vol. 46, # 1 p. 115 - 121

~%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 115, p. 154 - 174

~82%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Yuan, Yucheng; Yang, Rui; Zhang-Negrerie, Daisy; Wang, Junwei; Du, Yunfei; Zhao, Kang Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5385 - 5392

~%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Journal of Medicinal Chemistry, , vol. 52, # 9 p. 3047 - 3062

~%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Bulletin of the Chemical Society of Japan, , vol. 36, p. 492 - 500 US2714117 , ; Yuki Gosei Kagaku Kyokaishi, , vol. 16, p. 29,30 Chem.Abstr., , p. 6272 DE1004163 , ;

~%

Acetoacet-o-chloranilide Structure

Acetoacet-o-chl...

CAS#:93-70-9

Literature: Journal of Organic Chemistry, , vol. 26, p. 225 - 227

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Acetoacet-o-chloranilideBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
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 Synonyms

N1-(2-Chlorophenyl)-3-oxobutanamide
N-Acetoacetyl-2-chloroaniline
MFCD00018224
AAoC
N-(2-Chlorophenyl)-3-oxo-butyramide
N-(2-Chlorophenyl)acetoacetamide
o-Aetoacetochloranilide
o-chloro-acetoacetanilid
Acetoacet-o-chloroanilide
2-chloro-acetoacetanilide
EINECS 202-269-1
o-chloroacetoacetanilide
acetoacetylamino-2-chlorobenzene
2'-Chloroacetoacetan
1-amino-(2-chlorophenyl)-1,3-butanedione
N-(2-chlorophenyl)-3-oxo-butanamide
Acetoacet-o-chloranilide
N-(2-Chlorophenyl)-3-oxobutanamide
acetoacetic-o-chloroanilide
GR BMV1V1
o-Acetoacetchloranilide
CHLOROACETOACETANILIDE
AAOCA
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