alpha-Phenylcinnamic acid, (E)-

HCID 700620CAS 3368-16-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)/C(=C/c1ccccc1)c1ccccc1
InChIKey
BIDDLDNGQCUOJQ-SDNWHVSQSA-N
분자식
C15H12O2
평균 분자량
224.25 g/mol
단동위원소 질량
224.08372962

이름 및 식별자

우선 이름
alpha-Phenylcinnamic acid, (E)-
IUPAC
(E)-2,3-diphenylprop-2-enoic acid
영어명
alpha-Phenylcinnamic acid
분자식
C15H12O2
분자량
224.26

이름 및 동의어

alpha-Phenylcinnamic acid91-48-5(E)-2,3-Diphenylacrylic Acid2,3-diphenylacrylic acid2,3-diphenylprop-2-enoic acid(E)-2,3-Diphenylpropenoic acid(e)-alpha-phenylcinnamic acidtrans-alpha-Phenylcinnamic Acidtrans-2,3-Diphenylacrylic acidalpha-Phenylcinnamic acid, (E)-trans-2,3-Diphenylpropenoic acidtrans-.alpha.-Phenylcinnamic acid
이름 더 보기
TIMTEC-BB SBB007748α-Phenylciamic acid-PhenylcinnamicAcidA-PHENYLCINNAMIC ACIDà-phenylcinnamic acidα-Phenylcinnamic AcidPhenylcinnamicacid,98%α-PhenylcinnamicAcid>
EINECS 202-069-4(E)-.alpha.-Stilbenecarboxylic acid(E)-.alpha.-Phenylcinnamic acid0PKH62904BBenzeneacetic acid, alpha-(phenylmethylene)-.alpha.-Phenylcinnamic acid, (E)-NSC-83528Acrylic acid, 2,3-diphenyl-, (E)-

데이터베이스 식별자

CAS
3368-16-9、91-48-5
PubChem CID
700620
DTXSID
DTXSID00871015
ChEMBL
CHEMBL1980291
UNII
0PKH62904B
EC Number
202-069-4、840-968-9
Nikkaji
J3.924A、J414.332I

물성

구조 계산 물성

XLogP
3.5
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
17

물리화학적 성질

녹는점
172 · 172-174 °C(lit.)
끓는 점
325.66 °C · 325.66°C (rough estimate)
밀도
1.198 · 1.198
굴절률
1.653 · 1.6530 (estimate)
물리적 상태
powder to crystal
산도 계수 (pKa)
4.8 in · 4.8 in 60% ethanol

화학적 성질

white to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 6 reports by companies from 3 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

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (83.3%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
HS 번호
29163990
risk_code
36/37/38
safety_code
24/25
스토리지 클래스
13 - Non Combustible Solids

화학 및 산업

응용 분야

용도α-Phenylcinnamic Acid, is a 2,3-Diarylpropenoic Acid, which is a selective non-steroidal inhibitors of type-5 17β-hydroxysteroid dehydrogenase (AKR1C3).

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

관련 반응

5건
반응 기록 만들기

연결된 노트

불러오는 중…