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Acenocoumarol structure, CAS 152-72-7

Acenocoumarol

CAS Number152-72-7

SynonymsUNII:I6WP63U32H; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one; EINECS 205-807-3; MFCD00137816; 3-(a-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one; acenocoumarol; 3-(a-p-Nitrophenyl-b-acetylethyl)-4-hydroxycoumarin

Molecular FormulaC19H15NO6

Molecular Weight353.33

Purity≥98 (HPLC)%

Density1.4±0.1 g/cm3

Boiling Point592.7±50.0 °C at 760 mmHg

Melting Point196-199ºC

Flash Point

Appearancepowder

EINECS205-807-3

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9021024 Purity: ≥98 (HPLC)%
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Quality Control of [ 152-72-7 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number152-72-7
Catalog No.2A-9021024
Chinese Name醋硝香豆素
SynonymsUNII:I6WP63U32H; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one; EINECS 205-807-3; MFCD00137816; 3-(a-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin; 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one; acenocoumarol; 3-(a-p-Nitrophenyl-b-acetylethyl)-4-hydroxycoumarin
Molecular FormulaC19H15NO6
Molecular Weight353.33
Purity≥98 (HPLC)
Density1.4±0.1 g/cm3
Boiling Point592.7±50.0 °C at 760 mmHg
Melting Point196-199ºC
Appearancepowder
Water SolubilityDMSO, heptane and xylene: ≥17mg/mL
Storage ConditionVentilate and dry at low temperature.
PackagingIII
ApplicationAcenocoumarol is an anticoagulant that functions as a Vitamin K antagonist.
EINECS205-807-3
HTC2932209090
PubChem ID329825137
MDL NumberMFCD00137816
SMILESCC(=O)CC(c1ccc(cc1)[N+]([O-])=O)C2=C(O)c3ccccc3OC2=O
InChI1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChI KeyVABCILAOYCMVPS-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(b)
MSDSmsds/21024_1_152_72_7.pdf
Use ofAcenocoumarol is an anticoagulant that functions as a Vitamin K antagonist. Properties Articles40 Name acenocoumarol Synonym More Synonyms acenocoumarol Biological Activity Description Acenocoumarol is an anticoagulant that functions as a Vitamin K antagonist. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cardiovascular Disease Chemical & Physical Properties Molecular Formula C19H15NO6 Exact Mass 353.089935 PSA 113.33000 Index of Refraction 1.656 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Coumarin, 3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C19-H15-N-O6 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T66 BOVJ DY1V1&R DNW& EQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,3,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 11,85,1956 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,6,1989 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SEX/DURATION : female 1-28 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) REFERENCE : AFPEAM Archives Francaises de Pediatrie. (Doin Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1942- Volume(issue)/page/year: 36,63,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7380 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 239 (estimated) No. of Female Employees: 157 (estimated) Safety Information Signal Word Warning Hazard Statements H302-H315-H319-H335 Precautionary Statements P301 + P312 + P330-P305 + P351 + P338 Hazard Codes Xn RIDADR UN 2811 RTECS GN4900000 Packaging Group III Hazard Class 6.1(b) HS Code 2932209090 Synthetic Route 4-Hydroxycoumarin CAS#:1076-38-6 (Z)-4-(4-Nitrop... CAS#:946-49-6 acenocoumarol CAS#:152-72-7 acenocoumarol CAS#:152-72-7 Literature: Angewandte Chemie - International Edition, , vol. 42, # 40 p. 4955 - 4957 (Z)-4-(4-Nitrop... CAS#:946-49-6 4-Hydroxycoumarin CAS#:1076-38-6 acenocoumarol CAS#:152-72-7 acenocoumarol CAS#:152-72-7 Literature: Bulletin of the Korean Chemical Society, , vol. 33, # 6 p. 1825 - 1826 4-Hydroxycoumarin CAS#:1076-38-6 acenocoumarol CAS#:152-72-7 Literature: Tetrahedron Asymmetry, , vol. 12, # 5 p. 707 - 709 Precursor & DownStream Precursor 3 CAS#:1076-38-6 4-Hydroxycoumarin CAS#:946-49-6 (Z)-4-(4-Nitrop... CAS#:555-16-8 4-Nitrobenzaldehyde DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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