coumarin, 3-chloro

Modify Date: 2025-08-23 11:46:14

coumarin, 3-chloro Structure
coumarin, 3-chloro structure
Common Name coumarin, 3-chloro
CAS Number 92-45-5 Molecular Weight 180.588
Density 1.4±0.1 g/cm3 Boiling Point 325.4±30.0 °C at 760 mmHg
Molecular Formula C9H5ClO2 Melting Point 121-125ºC(lit.)
MSDS Chinese USA Flash Point 175.0±20.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Chlorocoumarin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 325.4±30.0 °C at 760 mmHg
Melting Point 121-125ºC(lit.)
Molecular Formula C9H5ClO2
Molecular Weight 180.588
Flash Point 175.0±20.0 °C
Exact Mass 179.997803
PSA 30.21000
LogP 2.03
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.618
InChIKey CKCOPMSBJBNBCQ-UHFFFAOYSA-N
SMILES O=c1oc2ccccc2cc1Cl

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases 26-36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2932209090

 Synthetic Route

 Customs

HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 coumarin, 3-chloroBioassay

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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
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: 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: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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 Synonyms

MFCD00024073
3-chlorochromen-2-one
3-Chloro-2H-chromen-2-one
3-Chloro-2H-1-benzopyran-2-one
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