2,4-Dichloro-5-nitrobenzotrifluoride

HCID 621179CAS 400-70-4

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl
InChIKey: VLVNHMVSVDVAOA-UHFFFAOYSA-N
분자식: C7H2Cl2F3NO2
평균 분자량: 259.99 g/mol
단동위원소 질량: 258.94146832

이름 및 식별자

우선 이름: 2,4-Dichloro-5-nitrobenzotrifluoride
IUPAC: 1,5-dichloro-2-nitro-4-(trifluoromethyl)benzene
영어명: 2,4-Dichloro-5-nitrobenzotrifluoride
분자식: C7H2Cl2F3NO2
분자량: 260

이름 및 동의어

2,4-Dichloro-5-nitrobenzotrifluoride400-70-4DTXSID50347412RefChem:82339DTXCID40298484609-778-1VLVNHMVSVDVAOA-UHFFFAOYSA-N1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzeneMFCD00007073Benzene, 1,5-dichloro-2-nitro-4-(trifluoromethyl)-2,4-Dichloro-5-Nitro benzotrifluorideSCHEMBL602444

이름 더 보기

TIMTEC-BB SBB0099072,4-Dichloro-5-nitro2,4-Dichloro-5-nitroben2,4-dichloro-5-nitrotrifluorotoluene2,4-Dichloro-5-nitrobenzotrifluoride98%2,4-Dichloro-5-nitrobenzotrifluoride>2,4-Dichloro-5-nitrobenzotrifluoride 98%2,4-Dichloro-5-NitroTrifluoromethylbenzene2,4-DICHLORO-5-NITROBENZOTRIFLUORIDE, 97 %

SCHEMBL29672221SBB009907AKOS000121380AKOS015923155CS-W014071AC-22519AS-15927ST060473

데이터베이스 식별자

CAS: 400-70-4
PubChem CID: 621179
DTXSID: DTXSID50347412
EC Number: 609-778-1
Nikkaji: J133.170A

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 55 · 55-57 °C (lit.)
끓는 점: 264.9 · 264.9±35.0 °C(Predicted)
밀도: 1.6589 · 1.6589 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 불용성
물리적 상태: powder to crystal
색상: Light yellow to Yellow to Orange
BRN: 2467459 · 2467459
InChI: InChI=1S/C7H2Cl2F3NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H
InChIKey: VLVNHMVSVDVAOA-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C1=CC([N+]([O-])=O)=C(Cl)C=C1Cl

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (13%)

안전 데이터

wgk: 3
HS 번호: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
위험 등급: IRRITANT, IRRITANT-HARMFUL
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,4-Dichloro-5-nitrobenzotrifluoride has been used in the synthesis of:2-substituted 3,7,8-trichlorodibenzo-p-dioxinsnew substituted 10 H-phenothiazines