기본 정보
- CAS
53531-34-3- 표준 SMILES
O[C@H](c1c2ccccc2cc2ccccc12)C(F)(F)F- InChIKey
ICZHJFWIOPYQCA-OAHLLOKOSA-N- 분자식
- C16H11F3O
- 평균 분자량
- 276.25 g/mol
이름 및 식별자
- 우선 이름
- (-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
- IUPAC
- (1R)-1-anthracen-9-yl-2,2,2-trifluoroethanol
- 현지명
- (R)-(-)-2,2,2-TRIFLUORO-1-(9-ANTHRYL)에탄올
- 영어명
- (R)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
- 분자식
- C16H11F3O
- 분자량
- 276.26
이름 및 동의어
53531-34-3(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanolRefChem:1049057258-611-5(R)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol(R)-(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanolMFCD00001260(R)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethanol(1R)-1-(anthracen-9-yl)-2,2,2-trifluoroethan-1-olDTXSID70968284(1R)-1-anthracen-9-yl-2,2,2-trifluoroethanolSCHEMBL977301
이름 더 보기
(R)-(-)-2,2,2-TRIFLUORO-1-(9-ANTHRYL)에탄올Pirkle's alcohol(1R)-1-(9-Anthryl)-2,2,2-trifluoroethanol(R)-2,2,2-Trifluoro-1-(9-anthracenyl)ethanolALPHA-(TRIFLUOROMETHYL)-9-ANTHRACENEMETHANOL(R)-α-(Trifluoromethyl)-9-anthracenemethanol(1R)-1-(9-anthracenyl)-2,2,2-trifluoroethanol
(R)-(-)-alpha-(Trifluoromethyl)anthracene-9-methanol(1R)-1-(9-Anthryl)-2,2,2-trifluoroethanol; (R)-(-)-1-(9-Anthryl)-2,2,2-trifluoroethanolAKOS024348891AS-66602SY103949ST50826068(R)-1-anthracen-9-yl-2,2,2-trifluoroethanolD95306
데이터베이스 식별자
- CAS
53531-34-3- PubChem CID
- 7006444
- EC Number
- 258-611-5
- Nikkaji
- J245.669I
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 녹는점
- 132 · 132-135 °C(lit.)
- 끓는 점
- 423.1 · 423.1±45.0 °C(Predicted)
- 밀도
- 1.2578 · 1.2578 (estimate)
- 굴절률
- -30.5 ° · -30.5 ° (C=1, CHCl3)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 11.91 · 11.91±0.30(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Green
- BRN
- 4695163 · 4695163
- InChI
- 1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m1/s1
- InChIKey
- ICZHJFWIOPYQCA-OAHLLOKOSA-N
- SMILES
- O[C@H](c1c2ccccc2cc3ccccc13)C(F)(F)F
화학적 성질
yellow crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29062990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도These enantiomerically pure (+)- and ()-2,2,2-trifluoro-1-(9-anthryl)ethanols have been used for the NMR spectral determination of optical purity (and in some cases, absolute configuration) of a wide variety of sulfoxides, lactones, amines, sulfinate esters, oxaziridines and allenes.
공급사37 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海迪外化工科技有限公司021-61551100
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北鑫润德化工有限公司15871472056 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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