Coumarone

Modify Date: 2025-08-21 11:01:36

Coumarone structure	Common Name	Coumarone
	CAS Number	271-89-6	Molecular Weight	118.133
	Density	1.1±0.1 g/cm3	Boiling Point	174.0±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₆O	Melting Point	-18ºC
	MSDS	Chinese USA	Flash Point	56.1±0.0 °C
	Symbol	GHS02, GHS08	Signal Word	Warning

Name	1-benzofuran
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	174.0±0.0 °C at 760 mmHg
Melting Point	-18ºC
Molecular Formula	C₈H₆O
Molecular Weight	118.133
Flash Point	56.1±0.0 °C
Exact Mass	118.041862
PSA	13.14000
LogP	2.67
Vapour Pressure	1.7±0.3 mmHg at 25°C
Index of Refraction	1.600
InChIKey	IANQTJSKSUMEQM-UHFFFAOYSA-N
SMILES	c1ccc2occc2c1
Water Solubility	insoluble

Coumarone MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF6423800

CHEMICAL NAME :: Benzofuran

CAS REGISTRY NUMBER :: 271-89-6

BEILSTEIN REFERENCE NO. :: 0107704

LAST UPDATED :: 199710

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C8-H6-O

MOLECULAR WEIGHT :: 118.14

WISWESSER LINE NOTATION :: T56 BOJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg/14D-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16250 mg/kg/13W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - changes in both tubules and glomeruli

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32500 mg/kg/13W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 437 mg/kg/14D-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 61800 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30900 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors

TYPE OF TEST :: Mutation test systems - not otherwise specified

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 199 mg/L

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-370,1989 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,431,1995 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,431,1995 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,431,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3271 No. of Facilities: 40 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 111 (estimated)

Symbol	GHS02, GHS08
Signal Word	Warning
Hazard Statements	H226-H351-H412
Precautionary Statements	P273-P281
Hazard Codes	Xn:Harmful
Risk Phrases	R10;R40
Safety Phrases	S36/37-S16
RIDADR	UN 1993 3/PG 3
WGK Germany	3
RTECS	DF6423800
Packaging Group	III
Hazard Class	3
HS Code	29329900

Precursor 9
CAS#:496-41-3 Benzofuran-2-ca... CAS#:6280-80-4 2-(2-Formylphen... CAS#:166975-76-4 4-(2-PIPERIDINO... CAS#:73867-48-8 6-methoxy-2-(2-...
CAS#:59214-70-9 3-Bromobenzofuran CAS#:91703-34-3 Phenol, 2-(2,2-... CAS#:199010-94-1 (2-ethynylpheno... CAS#:91-64-5 Coumarin
CAS#:496-16-2 Coumaran
DownStream 10
CAS#:496-41-3 Benzofuran-2-ca... CAS#:3131-63-3 2-Ethylbenzofuran CAS#:33094-66-5 Benzofuran, 2-nitro CAS#:75420-78-9 Benzofuran,3-nitro
CAS#:69-72-7 Salicylic acid CAS#:4265-27-4 2-Butyl-benzofuran CAS#:4265-25-2 2-Methylbenzofuran CAS#:5101-44-0 2-Ethynyl-phenol
CAS#:3782-00-1 2,3-dimethylben... CAS#:41717-32-2 BENZOFURAN-2-CA...

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Rational design of novel CYP2A6 inhibitors.

Bioorg. Med. Chem. 22(23) , 6655-64, (2015)

Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by e...

Cyclooxygenase 2 inhibitor celecoxib inhibits glutamate release by attenuating the PGE2/EP2 pathway in rat cerebral cortex endings.

J. Pharmacol. Exp. Ther. 351(1) , 134-45, (2014)

The excitotoxicity caused by excessive glutamate is a critical element in the neuropathology of acute and chronic brain disorders. Therefore, inhibition of glutamate release is a potentially valuable ...

Targeting kidney CLC-K channels: pharmacological profile in a human cell line versus Xenopus oocytes.

Biochim. Biophys. Acta 1838(10) , 2484-91, (2014)

CLC-K chloride channels play a crucial role in kidney physiology and genetic mutations, affecting their function are responsible for severe renal salt loss in humans. Thus, compounds that selectively ...

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

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Coumarone

4-Chlorosulfonyl-2,1,3-benzothiadiazole

MFCD00005847

2,1,3-benzothiadiazole-4-sulfonylchloride

Benzo<a>pyrene

Benzo-2,1,3-thiadiazole-4-sulphonyl chloride

2,3-Benzofuran

EINECS 205-982-6

2,1,3-benzothiadiazol-4-sulfonyl chloride

1-Benzofuran

Benzofuran

benzofuran-

2,1,3-Benzothiadiazole,4-chlorosulfonyl

3,4-benzopyrene

2,3,4-TRIFLUOROBENZENEETHANOL

benzo[b]furan

2,1,3-benzothiadiazole-4-sulphonyl chloride

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Coumarone
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzofuran
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: Coumarone
Price: ￥188.0/100g ￥98.0/25g
Purity: 99.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.com

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Coumarone

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

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Articles3

CoumaroneBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.