1,3-디클로로-4,6-디니트로벤젠

1,3-Dichloro-4,6-dinitrobenzene

HCID 77286CAS 3698-83-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
분자식: C6H2Cl2N2O4
평균 분자량: 236.99 g/mol
단동위원소 질량: 235.9391619

이름 및 식별자

우선 이름: 1,3-Dichloro-4,6-dinitrobenzene
IUPAC: 1,5-dichloro-2,4-dinitrobenzene
현지명: 1,3-디클로로-4,6-디니트로벤젠
영어명: 1,3-Dichloro-4,6-dinitrobenzene
분자식: C6H2Cl2N2O4
분자량: 237

이름 및 동의어

1,5-Dichloro-2,4-dinitrobenzene1,3-Dichloro-4,6-dinitrobenzene3698-83-7Benzene, 1,5-dichloro-2,4-dinitro-2,4-Dichloro-1,5-dinitrobenzene4,6-Dichloro-1,3-dinitrobenzeneUNII-6ENC7C8ZR0EINECS 223-027-16ENC7C8ZR0NSC 28971AI3-28912NSC-28971

이름 더 보기

1,3-디클로로-4,6-디니트로벤젠LABOTEST-BB LT00848199Chlorzoxazone Impurity 331,5-dinitro-2,4-dichlorobenzene1,5-dichloro-2,4-dinitro-benzen1,5-Dichloro-2,4-dinitrobenzene>Benzene, 1,5-dichloro-2,4-dinitro-

DTXSID6022210Benzene, 1,3-dichloro-4,6-dinitro-2,6-DICHLORO-3,5-DINITROBENZENE4,6-DINITRO-1,3-DICHLOROBENZENERefChem:72622DTXCID902210ZPXDNSYFDIHPOJ-UHFFFAOYSA-N1,3,-Dichloro-4,6-dinitrobenzene

데이터베이스 식별자

CAS: 3698-83-7
PubChem CID: 77286
DTXSID: DTXSID6022210
UNII: 6ENC7C8ZR0
EC Number: 223-027-1
Nikkaji: J205.612G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 91.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 101 · 101-104 °C(lit.)
끓는 점: 337.6 · 337.6±37.0 °C(Predicted)
밀도: 1.729 · 1.729±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
수용성: 물에 불용성.
BRN: 1685438 · 1685438
InChI: 1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(c(Cl)cc1Cl)[N+]([O-])=O
NIST: 1 · 1,3-Dichloro-4,6-dinitrobenzene(3698-83-7)
EPA: 1 · Benzene, 1,5-dichloro-2,4-dinitro- (3698-83-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (13%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.；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 CategoriesAcute Tox. 4 (13%)；Acute Tox. 4 (10.9%)；Skin Irrit. 2 (13%)；Eye Irrit. 2A (13%)；Acute Tox. 4 (13%)；STOT SE 3 (13%)；Aquatic Acute 1 (97.8%)；Aquatic Chronic 1 (13%)