3-Bromo-1,1,1-trifluoro-2-propanone (HCID 79008)

이름 및 식별자

우선 이름: 3-Bromo-1,1,1-trifluoro-2-propanone
IUPAC: 3-bromo-1,1,1-trifluoropropan-2-one
현지명: 3-브로모-1,1,1-트리플로로-2-프로판온
영어명: 3-Bromo-1,1,1-trifluoroacetone
분자식: C3H2BrF3O
분자량: 190.95

이름 및 동의어

431-35-6Bromotrifluoroacetone3-Bromo-1,1,1-trifluoro-2-propanone3-Bromo-1,1,1-trifluoropropanone53REV65E853,3,3-trifluorobromoacetoneDTXSID30195690RefChem:121646DTXCID70118181207-071-93-Bromo-1,1,1-trifluoroacetone1-Bromo-3,3,3-trifluoroacetone

이름 더 보기

3-브로모-1,1,1-트라이플루오로아세톤3-브로모-1,1,1-트리플로로-2-...3-브로모-1,1,1-트리플로로-2-프로판온3-브로모-1,1,1-트리플로로아세톤3-브로모-1,1,1-트리플루오로아세톤3-Bromo-1,1,1-TrifluroacetoneTIMTEC-BB SBB0066051-Bromo-3,3,3-trifL3-BROMO-1,1,1-TRIFLUOROPANONE

3-bromo-1,1,1-trifluoropropan-2-oneMFCD00039237C3H2BrF3O2-Propanone, 3-bromo-1,1,1-trifluoro-1-Bromo-3,3,3-trifluoro-2-propanone3-bromo-1,1,1-trifluoro-propan-2-one1,1,1-TRIFLUORO-3-BROMOPROPANONE1,1,1-trifluoro-3-bromoacetone

데이터베이스 식별자

CAS: 431-35-6
PubChem CID: 79008
DTXSID: DTXSID30195690
UNII: 53REV65E85
EC Number: 207-071-9
Nikkaji: J196.118G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 97

물리화학적 성질

녹는점: -80 °C · <-80°C
끓는 점: 87 °C/743 · 87 °C/743 mmHg (lit.)
밀도: 1.839 g/mL · 1.839 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.376(lit.)
인화점: 41 °F · 41 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 액체
색상: 무색~황색으로 투명함
Specific Gravity: 1.839 · 1.839
수용성: 물과 섞이지 않습니다.
BRN: 1703387 · 1703387
InChI: 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)CBr
NIST: 1 · 1-Bromo-3,3,3-trifluoroacetone(431-35-6)

화학적 성질

clear colorless to yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 53 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

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Corr. 1B (100%)

규제 정보

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

안전 데이터

wgk: 3
ridadr: UN 2924 3/PG 2
HS 번호: 29141900
risk_code: 11-34-37
hazard_code: F,C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3
F 고인화성물질: 19
위험 참고 사항: Corrosive/Flammable/Lachrymatory
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:3-nonylthio-1,1,1-trifluoropropan-2-onecyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional groupperfluoroalkylated trans-allylic alcohols

일반 설명3-Bromo-1,1,1-trifluoroacetone reacts with potassium enolate of ethyl 4,4,4-trifluoroacetoacetate to yield ethyl 2,4-bis(trifluoromethyl)-4-hydroxydihydro-3-furoate.