3,5-디니트로벤질염화물

Benzene, 1-(chloromethyl)-3,5-dinitro-

HCID 94673

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74367-78-5
표준 SMILES: O=[N+]([O-])c1cc(CCl)cc([N+](=O)[O-])c1
InChIKey: SMJODKZAFKWUJG-UHFFFAOYSA-N
분자식: C7H5ClN2O4
평균 분자량: 216.58 g/mol
단동위원소 질량: 215.99378432

이름 및 식별자

우선 이름: Benzene, 1-(chloromethyl)-3,5-dinitro-
IUPAC: 1-(chloromethyl)-3,5-dinitrobenzene
현지명: 3,5-디니트로벤질염화물
영어명: 3,5-DINITROBENZYL CHLORIDE
분자식: C7H5ClN2O4
분자량: 216.58

이름 및 동의어

3,5-Dinitrobenzyl chloride74367-78-5Benzene, 1-(chloromethyl)-3,5-dinitro-CCRIS 3134EINECS 277-841-7Toluene, alpha-chloro-3,5-dinitro-DTXSID8072790RefChem:562384DTXCID30476351-(Chloromethyl)-3,5-dinitrobenzene3,5-dinitrobenzylchlorideMFCD00007234

이름 더 보기

3,5-디니트로벤질염화물α-chloro-3,5-dinitrotolueneALPHA-CHLORO-3,5-DINITROTOLUENE1-(chloromethyl)-3,5-dinitro-benzen2-amino-4-hydroxy-2,4-dimethylpentanoic acid

1-(CHLOROMETHYL)-3,5-DINITRO-BENZENESCHEMBL1316710SMJODKZAFKWUJG-UHFFFAOYSA-1-Chloromethyl-3,5-dinitrobenzene3,5-Dinitrobenzyl chloride, 97%AKOS015889178AKOS016005470AB00862

데이터베이스 식별자

CAS: 74367-78-5
PubChem CID: 94673
DTXSID: DTXSID8072790
EC Number: 277-841-7
Nikkaji: J149.984J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 91.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 79 · 79-82 °C (lit.)
끓는 점: 373.4 · 373.4±27.0 °C(Predicted)
밀도: 1.538 · 1.538±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
BRN: 2506587 · 2506587
InChI: 1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2
InChIKey: SMJODKZAFKWUJG-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(CCl)cc(c1)[N+]([O-])=O
EPA: 1 · Benzene, 1-(chloromethyl)-3,5-dinitro- (74367-78-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CZ0770000
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34-36/37
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10-19-21
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-(chloromethyl)-3,5-dinitro-: INACTIVE

응용 분야

용도3,5-Dinitrobenzyl chloride was used in the synthesis of double-spanned double cavity calix[4]arenes and 3,5-dinitrobenzylamines. It also was used in fluorescence flow immunoassay for determination of 4-nitrophenol.