기본 정보
- CAS
16642-94-7- 표준 SMILES
N#Cc1ccc(/C=C/C(=O)O)cc1- InChIKey
USVZQKYCNGNRBV-AATRIKPKSA-N- 분자식
- C10H7NO2
- 평균 분자량
- 173.17 g/mol
- 단동위원소 질량
- 173.04767847
이름 및 식별자
- 우선 이름
- (2E)-3-(4-Cyanophenyl)-2-propenoic acid
- IUPAC
- (E)-3-(4-cyanophenyl)prop-2-enoic acid
- 현지명
- 4-시아노신남산
- 영어명
- 4-Cyanocinnamic acid
- 분자식
- C10H7NO2
- 분자량
- 173.17
이름 및 동의어
16642-94-7(2E)-3-(4-cyanophenyl)prop-2-enoic acidDTXSID801277921(2e)-3-(4-cyanophenyl)-2-propenoic acidRefChem:396498DTXCID001708435812-449-74-Cyanocinnamic acid18664-39-6(E)-3-(4-Cyanophenyl)acrylic acidtrans-4-Cyanocinnamic acid3-(4-cyanophenyl)acrylic acid
이름 더 보기
4-시아노신남산AKOS BAR-2475-3-(4-Cyanophenyl)RARECHEM BK HD C0084-Cyanocinnamic acid 98%trans-4-Cyanocinnamicacid98%trans-4-Cyanocinnamic acid 98%
(E)-3-(4-cyanophenyl)prop-2-enoic acid2-Propenoic acid, 3-(4-cyanophenyl)-, (2E)-MFCD000168452-Propenoic acid, 3-(4-cyanophenyl)-, (E)-3-(4-cyanophenyl)-2-propenoic acid(E)-4-cyanocinnamic acid2-Propenoic acid, 3-(4-cyanophenyl)-(E)-3-(4-Cyanophenyl)acrylicacid
데이터베이스 식별자
- CAS
16642-94-7、18664-39-6- PubChem CID
- 735786
- DTXSID
DTXSID801277921- EC Number
- 242-484-8、812-449-7
- Nikkaji
- J1.595.848K、J222.266C
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 61.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 253
물리화학적 성질
- 녹는점
- 245 · 245-248
- 끓는 점
- 380.4 · 380.4±25.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.13 · 4.13±0.10(Predicted)
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (33.3%)
안전 데이터
- HS 번호
- 2916399090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
공급사35 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
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