기본 정보
- CAS
152152-19-7- 표준 SMILES
O=C(O)/C=C/c1cc(F)c(F)c(F)c1- InChIKey
PHIWFMZBVZFEQJ-OWOJBTEDSA-N- 분자식
- C9H5F3O2
- 평균 분자량
- 202.13 g/mol
- 단동위원소 질량
- 202.02416388
이름 및 식별자
- 우선 이름
- 3,4,5-Trifluorocinnamic acid
- IUPAC
- (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid
- 영어명
- 3,4,5-Trifluorocinnamic acid
- 분자식
- C9H5F3O2
- 분자량
- 202.13
이름 및 동의어
3,4,5-Trifluorocinnamic acidRefChem:485711622-517-6331245-88-6(2E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid(E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid(E)-3-(3,4,5-trifluorophenyl)acrylic acidTRANS-3,4,5-TRIFLUOROCINNAMIC ACIDSCHEMBL584606PHIWFMZBVZFEQJ-OWOJBTEDSA-NSTR05002SBB068773
이름 더 보기
RARECHEM BK HW 00563,4,5-TRIFLUOROCINNA3,4,5-TRIFLUOROCINNAMIC3,4,5-Trifluorociamic acid3,4,5-Trifluorocinnamicacid98%3,4,5-Trifluorocinnamic acid, 97+%3-(3,4,5-Trifluorophenyl)acrylicacid3,4,5-TRIFLUOROCINNAMIC ACID USP/EP/BP
AKOS005255167AKOS025310001AC-9775CS-W015521LS-13573DB-266989ST50827428EN300-137065
데이터베이스 식별자
- CAS
152152-19-7- PubChem CID
- 5708779
- EC Number
- 622-517-6
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 230
물리화학적 성질
- Melting point
- 195 · 195-199 °C (lit.)
- Boiling point
- 273.8 · 273.8±35.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.13 · 4.13±0.10(Predicted)
- form
- powder
- color
- Light creamy lemon
- InChI
- 1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+
- InChIKey
- PHIWFMZBVZFEQJ-OWOJBTEDSA-N
- SMILES
- OC(=O)\C=C\c1cc(F)c(F)c(F)c1
- CAS DataBase Reference
- 152152 · 152152-19-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 a-P304+P340-P405-P501a-P261-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29163990 · 29163990
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
안전 및 규제
GHS 분류
GHS Classification
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 45 reports by companies from 5 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P305+P351+P338
화학 및 산업
공급사20 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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