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기본 정보
- CAS
85068-32-2- 표준 SMILES
N#CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
YXGWYBUKRTYHJM-UHFFFAOYSA-N- 분자식
- C10H5F6N
- 평균 분자량
- 253.14 g/mol
- 단동위원소 질량
- 253.03261814
이름 및 식별자
- 우선 이름
- (3,5-Bis(trifluoromethyl)phenyl)acetonitrile
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
- 영어명
- 3,5-Bis(trifluoromethyl)phenylacetonitrile
- 분자식
- C10H5F6N
- 분자량
- 253.14
이름 및 동의어
85068-32-2EINECS 285-294-0(3,5-Bis(trifluoromethyl)phenyl)acetonitrile[3,5-bis(trifluoromethyl)phenyl]acetonitrile3,5-Bis(trifluoromethyl)benzeneacetonitrileDTXSID50234136RefChem:399339DTXCID50156627285-294-03,5-Bis(trifluoromethyl)phenylacetonitrile2-(3,5-bis(trifluoromethyl)phenyl)acetonitrile2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
이름 더 보기
3,5-DI(TRIFLUORO METHYL)BENZYL CYANIDE2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETONITRILE3,5-Bis(trifluoromethyl)phenylacetonitrile98%3,5-Bis(trifluoromethyl)phenylacetonitrile 98%3,5-Bis(trifluoromethyl)phenylacetonitrile >Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-
3,5-Bis(trifluoromethyl)benzyl Cyanide3,5-di(trifluoromethyl)benzyl cyanideMFCD00009904Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-3,5-bis-trifluoromethyl-phenylacetonitrileCS-01584852-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile(3,5-bis-trifluorometh
데이터베이스 식별자
- CAS
85068-32-2- PubChem CID
- 603657
- DTXSID
DTXSID50234136- UNII
- 2NSE3RU6PE
- EC Number
- 285-294-0
- Nikkaji
- J309.649A
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 287
물리화학적 성질
- 끓는 점
- 195.4 · 195.4±35.0 °C(Predicted)
- 밀도
- 1.42 g/mL · 1.42 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4234(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 혼합하기가 어렵습니다.
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Light yellow
- Specific Gravity
- 1.42 · 1.420
- BRN
- 6810362 · 6810362
- InChI
- 1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
- InChIKey
- YXGWYBUKRTYHJM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(CC#N)cc(c1)C(F)(F)F
화학적 성질
clear colorless to pale yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): 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, P317, 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 47 reports by companies from 7 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 (95.7%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (89.4%)；Eye Irrit. 2 (89.4%)；Acute Tox. 4 (95.7%)；STOT SE 3 (87.2%)
안전 데이터
- wgk
- 3
- ridadr
- 3276
- HS 번호
- 29269090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,C,Xi
- safety_code
- 26-37/39
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도3,5-Bis(trifluoromethyl)phenylacetonitrile may be used in chemical synthesis.
상·하류 제품 정보
상류 원료
공급사83 곳
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