3,5-Bis(trifluoromethyl)benzyl alcohol

HCID 122933CAS 32707-89-4

기본 정보

표준 SMILES: OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: BJTWPJOGDWRYDD-UHFFFAOYSA-N
분자식: C9H6F6O
평균 분자량: 244.13 g/mol
단동위원소 질량: 244.03228413

이름 및 식별자

우선 이름: 3,5-Bis(trifluoromethyl)benzyl alcohol
IUPAC: [3,5-bis(trifluoromethyl)phenyl]methanol
영어명: 3,5-Bis(trifluoromethyl)benzyl alcohol
분자식: C9H6F6O
분자량: 244.13

이름 및 동의어

3,5-Bis(trifluoromethyl)benzyl alcohol32707-89-43,5-Bis(trifluoromethyl)benzenemethanolEINECS 251-168-9DTXSID10186389RefChem:486554DTXCID70108880251-168-9(3,5-bis(trifluoromethyl)phenyl)methanol[3,5-Bis(trifluoromethyl)phenyl]methanolBenzenemethanol, 3,5-bis(trifluoromethyl)-MFCD00009907

이름 더 보기

MBT-BYLRARECHEM AL BD 0207TIMTEC-BB SBB0008373,5-DI(TRIFLUORO METHYL)BENZALCOHOL3,5-DI(TRIFLUORO METHYL)BENZYLALCOHOL[3,5-DI(TRIFLUOROMETHYL)PHENYL]METHANOL3,5-Bis(trifluoromethyl)benzylalcohol98%(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-METHANOL

BJTWPJOGDWRYDD-UHFFFAOYSA-3,5-bistrifluoromethylbenzyl alcohol3,5-di(Trifluoromethyl)benzyl alcoholCS-W012741EN300-19320863,5-ditrifluoromethylbenzyl alcohol3,5-bis(trifluoromethyl)benzylalcohol[3,5-bis(trifluoromethyl)phenyl]methan-1-ol

데이터베이스 식별자

CAS: 32707-89-4
PubChem CID: 122933
DTXSID: DTXSID10186389
EC Number: 251-168-9
Nikkaji: J236.278C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 53 · 53-56 °C(lit.)
끓는 점: 40 °C · 40°C 0,5mm
밀도: 1.3954 · 1.3954 (estimate)
인화점: 208 °F · 208 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystaline
산도 계수 (pKa): 13.92 · 13.92±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2055358 · 2055358
InChI: InChI=1S/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2
InChIKey: BJTWPJOGDWRYDD-UHFFFAOYSA-N
SMILES: C1(CO)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
NIST: 3 · 3,5-Bis(trifluoromethyl)benzyl alcohol(32707-89-4)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

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 48 reports by companies from 7 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: 29052900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-37/39-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,5-bis(trifluoromethyl)benzylalcohol is also a very useful intermediate in the preparation of 3,5-bis(trifluoromethyl)halo-benzyls, for example 3,5-bis(trifluoromethyl)benzylbromide or benzylchloride.