3-(3-Bromo-4-fluorophenyl)-2-propenoic acid

HCID 688311
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기본 정보

CAS
160434-49-1
표준 SMILES
O=C(O)C=Cc1ccc(F)c(Br)c1
InChIKey
ZNIGVADAKXOMQH-UHFFFAOYSA-N
분자식
C9H6BrFO2
평균 분자량
245.04 g/mol
단동위원소 질량
243.95352

이름 및 식별자

우선 이름
3-(3-Bromo-4-fluorophenyl)-2-propenoic acid
IUPAC
3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
영어명
3-Bromo-4-fluorocinnamic acid
분자식
C9H6BrFO2
분자량
245.05

이름 및 동의어

DTXSID4012619203-(3-BROMO-4-FLUOROPHENYL)-2-PROPENOIC ACIDRefChem:491766DTXCID101692611160434-49-13-(3-bromo-4-fluorophenyl)prop-2-enoic acid3-(3-bromo-4-fluoro-phenyl)prop-2-enoic Acid(E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoic acidSCHEMBL290719ZNIGVADAKXOMQH-UHFFFAOYSA-NAKOS0281100843-(3-bromo-4-fluorophenyl)acrylic acid
이름 더 보기
CAS:160434-49-1TIMTEC-BB SBB003187RARECHEM BK HW 01933-Bromo-4-fluorociamicacid3-Bromo-4-fluorocinnamic acid3-Bromo-4-fluorocinnamicacid99%3-Bromo-4-fluorocinnamic acid 99%3-BROMO-4-FLUOROCINNAMIC ACID USP/EP/BP(E)-3-(3-bromo-4-fluorophenyl)acrylic acid
3-(3-Bromo-4-fluoro-phenyl)-acrylic acidDB-043457

데이터베이스 식별자

CAS
160434-49-1
PubChem CID
688311
DTXSID
DTXSID401261920
EC Number
605-209-6

물성

구조 계산 물성

XLogP
2.7
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
189 · 189-192 °C
끓는 점
337.4 · 337.4±32.0 °C(Predicted)
밀도
1.6228 · 1.6228 (rough estimate)
굴절률
1.424 · 1.4240 (estimate)
저장 조건
2 · Storage temp. 2-8°C
산도 계수 (pKa)
4.25 · 4.25±0.10(Predicted)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 5 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
29163990
risk_code
36/37/38
hazard_code
Xi
safety_code
28A-26
위험 참고 사항
Irritant

화학 및 산업

상·하류 제품 정보

공급사81 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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