3,5-Bis(trifluoromethyl)benzyl bromide (HCID 122573)

이름 및 식별자

우선 이름: 3,5-Bis(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene
영어명: 3,5-Bis(trifluoromethyl)benzyl bromide
분자식: C9H5BrF6
분자량: 307.03

이름 및 동의어

3,5-Bis(trifluoromethyl)benzyl bromide32247-96-4DTXSID10186001BTFMBzBrRefChem:91387DTXCID80108492250-971-11-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene3,5-di(Trifluoromethyl)benzyl bromideMFCD00009905Benzene, 1-(bromomethyl)-3,5-bis(trifluoromethyl)-3,5-bis(trifluoromethyl)benzylbromide

이름 더 보기

5-Bis(trifluoroMethyl)benzyl broMide3,5-Bis(trifluoremethyl)benzylbromide3,5-DI(TRIFLUORO METHYL)BENZYL BROMIDE3,5-Bis(trifluoromethyl)benzylbromiode3,5-Bis(trifluoromethyl)benzylbromide98%3,5-Bis(trifluoromethyl)benzyl bromide 98%3,5-Bis(trifluoromethyl)benzyl Bromide >3,5-Bis(trifluoromethyl)benzyl bromide, 97+%

1-Bromomethyl-3,5-bis(trifluoromethyl)benzenealpha''-Bromo-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-mesitylene; 1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene; 1-Bromomethyl-3,5-ditrifluoromethylbenzene; 3,5-(Trifluoromethyl)benzyl Bromide; 3,5-Di(trifluoromethyl)benzyl BromideEINECS 250-971-13,5-bis-(Trifluoromethyl)benzyl bromideSCHEMBL107565ATLQGZVLWOURFU-UHFFFAOYSA-3,5-bistrifluoromethylbenzyl bromide3,5-Bis(trifluromethyl)benzylbromide

데이터베이스 식별자

CAS: 32247-96-4
PubChem CID: 122573
DTXSID: DTXSID10186001
EC Number: 250-971-1
Nikkaji: J236.421B

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 18 °C · 18°C
끓는 점: 136 · 136-140°C 14mm
밀도: 1.675 g/mL · 1.675 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.445(lit.)
인화점: 79 °F · 79 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 혼합하기가 어렵습니다.
물리적 상태: 액체
Specific Gravity: 1.675 · 1.675
색상: 투명한 무색~황갈색
BRN: 656506 · 656506
InChI: InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChIKey: ATLQGZVLWOURFU-UHFFFAOYSA-N
SMILES: C1(CBr)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
NIST: 3 · 3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4)

화학적 성질

White or Colorles to Yellow to Orange powder to lump to clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (93%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 24-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34466

Hazard Classes and CategoriesFlam. Liq. 3 (93%)

안전 데이터

wgk: 3
ridadr: UN 2920 8/PG 2
HS 번호: 29039990
risk_code: 10-34
hazard_code: C,F
safety_code: 26-36/37/39-45-25-16
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도3,5-Bis(trifluoromethyl)benzyl bromide is used as derivatization reagent in detection of uracil in DNA by GC and negative chemical ionization mass spectrometry in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist.