Propanedinitrile,2-[(4-chlorophenyl)methylene]

Modify Date: 2025-09-02 06:15:40

Propanedinitrile,2-[(4-chlorophenyl)methylene] Structure
Propanedinitrile,2-[(4-chlorophenyl)methylene] structure
Common Name Propanedinitrile,2-[(4-chlorophenyl)methylene]
CAS Number 1867-38-5 Molecular Weight 188.61300
Density 1.296g/cm3 Boiling Point 335.4ºC at 760mmHg
Molecular Formula C10H5ClN2 Melting Point N/A
MSDS N/A Flash Point 150.4ºC

 Names

Name 2-[(4-chlorophenyl)methylidene]propanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.296g/cm3
Boiling Point 335.4ºC at 760mmHg
Molecular Formula C10H5ClN2
Molecular Weight 188.61300
Flash Point 150.4ºC
Exact Mass 188.01400
PSA 47.58000
LogP 2.77056
Vapour Pressure 0.00012mmHg at 25°C
Index of Refraction 1.623
InChIKey FQSXBLOWLYPURG-UHFFFAOYSA-N
SMILES N#CC(C#N)=Cc1ccc(Cl)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO3680000
CHEMICAL NAME :
Malononitrile, (p-chlorobenzylidene)-
CAS REGISTRY NUMBER :
1867-38-5
BEILSTEIN REFERENCE NO. :
1909858
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H5-Cl-N2
MOLECULAR WEIGHT :
188.62

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

 Safety Information

HS Code 2926909090

 Synthetic Route

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Bioassay

View more

Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
Name: Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); ...
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL4296190
Name: Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB m...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL4296189
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: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
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: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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 Synonyms

4-Chlorobenzalmalononitrile
4-Chlorobenzylidenemalononitrile
p-Chlorobenzylidenemalononitrile
F 2371
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