벤조일포름 산

Phenylglyoxylic Acid

HCID 11915CAS 611-73-4
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기본 정보

표준 SMILES
O=C(O)C(=O)c1ccccc1
InChIKey
FAQJJMHZNSSFSM-UHFFFAOYSA-N
분자식
C8H6O3
평균 분자량
150.13 g/mol
단동위원소 질량
150.03169405

이름 및 식별자

우선 이름
Phenylglyoxylic Acid
IUPAC
2-oxo-2-phenylacetic acid
현지명
벤조일포름 산
영어명
Benzoylformic acid
분자식
C8H6O3
분자량
150.13

이름 및 동의어

BENZOYLFORMIC ACIDPhenylglyoxylic acid611-73-42-Oxo-2-phenylacetic acidOxophenylacetic acidBenzeneglyoxylic acidPhenyloxoacetic acidPhenylgloxylic acid2-Phenylethanoic acidPhenylglyoxalatealpha-Ketophenylacetic acidGlyoxylic acid, phenyl-
이름 더 보기
벤조일포름산벤조일포름산Phenylglyoxalic acidGlycopyrronium Bromide EP Impurity BCaa 0869Lfc 1849Benzoylformatealpha-KetophenylPhenylglyoxylateAcetophenone acid
alpha-Oxobenzeneacetic acidFormic acid, benzoyl-Benzeneacetic acid, alpha-oxo-alpha-Oxo-benzeneacetic acid2PZL5A0W0MNSC-28293CHEBI:18280DTXSID80209993

데이터베이스 식별자

CAS
611-73-4
PubChem CID
11915
DTXSID
DTXSID80209993
ChEMBL
CHEMBL950
ChEBI
CHEBI:18280
UNII
2PZL5A0W0M
EC Number
210-278-7
Nikkaji
J2.992K

물성

구조 계산 물성

XLogP
1.3
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Solubility · 2건

920000

920.0 mg/mL at 0 °C

Boiling Point163
Melting Point · 2건

66

66 °C

Physical Description · 2건

Light yellow crystalline solid; [Sigma-Aldrich MSDS]

Solid

물리화학적 성질

녹는점
62 · 62-65 °C(lit.)
끓는 점
84 °C0.1 · 84 °C0.1 mm Hg
밀도
1.38 · 1.38
굴절률
1.45 · 1.4500 (estimate)
인화점
147 · 147-151°C/12mm
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

white to light yellow adhering crystals,

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2A (98%)；STOT SE 3 (94.1%)

안전 데이터

wgk
3
rtecs
DA1480000
독성
LD50 ivn-mus: 180 mg/kg CSLNX* NX#04110
HS 번호
29183000
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

UsesStyrene metabolite. [ChemIDplus]

응용 분야

용도Phenylglyoxylic Acid (cas# 611-73-4) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

추가 설명

정의ChEBI: A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.

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