1,1-디브로모-3,3,3-트리플루오로아세톤

1,1-Dibromo-3,3,3-trifluoroacetone

HCID 550523CAS 431-67-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(C(Br)Br)C(F)(F)F
InChIKey: HEPPAPZASXFWTB-UHFFFAOYSA-N
분자식: C3HBr2F3O
평균 분자량: 269.84 g/mol
단동위원소 질량: 267.83462

이름 및 식별자

우선 이름: 1,1-Dibromo-3,3,3-trifluoroacetone
IUPAC: 3,3-dibromo-1,1,1-trifluoropropan-2-one
현지명: 1,1-디브로모-3,3,3-트리플루오로아세톤
영어명: 1,1-Dibromo-3,3,3-trifluoroacetone
분자식: C3HBr2F3O
분자량: 269.84

이름 및 동의어

1,1-Dibromo-3,3,3-trifluoroacetone431-67-4DTXSID003386581,1-Dibromo-3,3,3-tetrafluoromethyl-2-propanoneRefChem:71014DTXCID90289741638-897-1HEPPAPZASXFWTB-UHFFFAOYSA-N3,3-dibromo-1,1,1-trifluoropropan-2-one3,3-Dibromo-1,1,1-trifluoroacetoneMFCD00041362C3HBr2F3O

이름 더 보기

1,1-디브로모-3,3,3-트리플루오로아세톤Dibromotrifluoroacetone1,1-Dibromo-3,3,3-trifL1,1-Dibromo-3,3,3-trifluoroacetone97%3,3-Dibromo-1,1,1-trifluoroacetone 97%1,1-Dibromo-3,3,3-trifluoroacetone 97%1,1-Dibromo-3,3,3-trifluoropropan-2-one

3,3-Dibromo-1,1,1-trifluoro-2-propanone3,3-dibromo-1,1,1-trifluoro-propan-2-one2-Propanone, 3,3-dibromo-1,1,1-trifluoro-dibromotrifluoroaceton1,1,1-trifluoro-3,3-dibromoacetone3,3-dibromotrifluoroacetoneSCHEMBL216366l,l-dibromo-3,3,3-trifluoroacetone

데이터베이스 식별자

CAS: 431-67-4
PubChem CID: 550523
DTXSID: DTXSID00338658
EC Number: 638-897-1
Nikkaji: J488.368C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 111 °C · 111 °C
밀도: 1.98 · 1.98
굴절률: 1.4305 · 1.4305
인화점: 111 · 111-113°C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: 연한 주황색 액체
색상: Colorless to Red to Green
수용성: 클로로포름에 용해됩니다. 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 636645 · 636645
InChI: InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey: HEPPAPZASXFWTB-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(=O)C(Br)Br

화학적 성질

Light-Orange Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (18.2%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (18.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (18.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (18.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 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

Hazard Classes and CategoriesMet. Corr. 1 (18.2%)；Acute Tox. 4 (18.2%)；Acute Tox. 4 (18.2%)；Skin Corr. 1B (100%)；Eye Dam. 1 (18.2%)；Acute Tox. 4 (18.2%)

안전 데이터

ridadr: 2922
HS 번호: 2914790090
risk_code: 20/21/22-34
hazard_code: T,Xi
safety_code: 23-26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Toxic

화학 및 산업

응용 분야

용도1,1-Dibromo-3,3,3-trifluoroacetone readily forms trifluoropyruvaldehyde hydrate in the presence of aqueous NaOAc, which is a useful intermediate, e.g. in the synthesis of a fused pyrazine derivative.