CAS 77227-81-7 Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)- (HCID 157026)

기본 정보

CAS: 77227-81-7
표준 SMILES: Fc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey: BWQFQKZDLBJZAW-UHFFFAOYSA-N
분자식: C7H2Cl2F4
평균 분자량: 232.99 g/mol
단동위원소 질량: 231.9469683

이름 및 식별자

우선 이름: Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
IUPAC: 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
영어명: 3,5-Dichloro-4-fluorobenzotrifluoride
분자식: C7H2Cl2F4
분자량: 232.99

이름 및 동의어

3,5-Dichloro-4-fluorobenzotrifluoride77227-81-7Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-DTXSID70227969RefChem:562285DTXCID70150460620-878-41,3-dichloro-2-fluoro-5-(trifluoromethyl)benzeneMFCD00068183SCHEMBL6688723,5-dichloro-4-flurobenzotriflouride1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene;1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

이름 더 보기

3,5-Dichloro-4-fluoronitrobezene3,5-dichloro-4- chlorobenzotrifluoride3,5-Dichloro-4-fluorobenzotrifluoride98%3,5-Dichloro-4-fluorobenzotrifluoride 98%2,6-Dichloro-4-trifluoromethylfluorobenzene3,5-DICHLORO-ALPHA,ALPHA,ALPHA-4-TETRAFLUOROTOLUENE3,5-dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene

1,3-dichloro-2-fluoro-5-(trifluSBB0980163,5-dichloro-4-fluorobenzotriflourideAKOS015888593AC-41323,5-dichloro-4-fluoro-benzotrifluorideSY0354023,5-Dichloro-4-fluorobenzotrifluoride, 98%

데이터베이스 식별자

CAS: 77227-81-7
PubChem CID: 157026
DTXSID: DTXSID70227969
EC Number: 620-878-4
Nikkaji: J1.591.143C

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 170

물리화학적 성질

끓는 점: 166 · 166-168 °C (lit.)
밀도: 1.555 g/mL · 1.555 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 164 °F · 164 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
색상: 투명한
BRN: 6199573 · 6199573
InChI: 1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey: BWQFQKZDLBJZAW-UHFFFAOYSA-N
SMILES: Fc1c(Cl)cc(cc1Cl)C(F)(F)F

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 29039990
risk_code: 22-41
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도3,5-Dichloro-4-fluorobenzotrifluoride may be used for the synthesis of 3-[4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]]-3-(trifluoromethyl)diazirine.

일반 설명3,5-Dichloro-4-fluorobenzotrifluoride is an aryl fluorinated building block.