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4-((3-BORONOPHENYL)AMINO)-4-OXOBUTANOIC ACID structure, CAS 31754-00-4

4-((3-BORONOPHENYL)AMINO)-4-OXOBUTANOIC ACID

CAS Number31754-00-4

Synonymsm-Boronosuccinanilic acid; 4-((3-Boronophenyl)amino)-4-oxobutanoic acid; 3-(3-Carboxypropionylamino)-phenylborsaeure; 3'-(Dihydroxyboryl)succinanilic acid; Succinanilic acid,3'-(dihydroxyboryl); N-(3-dihydroxyborylphenyl)succinamic acid; Butanoic acid,4-((3-boronophenyl)amino)-4-oxo; 3-(3-Carboxypropionylamino)phenylboronic acid; 3'-Boronosuccinanilic acid

Molecular FormulaC7H14N2O3

Molecular Weight174.201

Purity96+%

Density1.37±0.1 g/cm3(Predicted)

Boiling Point

Melting Point

Flash Point

Appearance

EINECS0

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-0133857 Purity: 96+%
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Quality Control of [ 31754-00-4 ] Purity: 96+% SDS Specification MoL

Chemical & Physical Properties
CAS Number31754-00-4
Catalog No.2A-0133857
Chinese Name4-((3-二羟硼基苯基)氨基)-4-氧代丁酸
Synonymsm-Boronosuccinanilic acid; 4-((3-Boronophenyl)amino)-4-oxobutanoic acid; 3-(3-Carboxypropionylamino)-phenylborsaeure; 3'-(Dihydroxyboryl)succinanilic acid; Succinanilic acid,3'-(dihydroxyboryl); N-(3-dihydroxyborylphenyl)succinamic acid; Butanoic acid,4-((3-boronophenyl)amino)-4-oxo; 3-(3-Carboxypropionylamino)phenylboronic acid; 3'-Boronosuccinanilic acid
Molecular FormulaC7H14N2O3
Molecular Weight174.201
Purity96+
Density1.37±0.1 g/cm3(Predicted)
Storage ConditionRoom temperature, sealed, dry, inert gas
EINECS0
HTC2931900090
UN(IATA)0
MDL NumberMFCD12769529
SMILESO=C(O)CCC(=O)Nc1cccc(B(O)O)c1
InChIInChI=1S/C10H12BNO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6,16-17H,4-5H2,(H,12,13)(H,14,15)
InChI KeySVHXAKJLLKGJGC-UHFFFAOYSA-N
MSDSmsds/133857_1_31754_00_4.pdf
Use ofhealth and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C10H12BNO5 Molecular weight:237.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Succinanilic acid, 3'-(dihydroxyboryl)- CAS REGISTRY NUMBER : 31754-00-4 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H12-B-N-O5 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : QV2VMR CBQQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,693,1964 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 14KTAK "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964 Volume(issue)/page/year: -,709,1964 Safety Information HS Code 2931900090 Synthetic Route Total: 1 Page Succinic anhydride CAS#:108-30-5 3-Aminophenylbo... CAS#:30418-59-8 4-((3-Boronophe... CAS#:31754-00-4 Literature: Prolinx, Inc. Patent: US5594111 A1, 1997 ; Precursor & DownStream Precursor 2 CAS#:108-30-5 Succinic anhydride CAS#:30418-59-8 3-Aminophenylbo... DownStream 0
Tax Rebate13.0%
SupervisionAB (Inbound cargo customs clearance form)
Transport InfoProduct name: 4-((3-dihydroxyborylphenyl)amino)-4-oxobutyric acid
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