1,3,5-트리클로로트리니트로벤젠

1,3,5-Trichloro-2,4,6-trinitrobenzene

HCID 17518CAS 2631-68-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl
InChIKey
LZMONXBJUOXABQ-UHFFFAOYSA-N
분자식
C6Cl3N3O6
평균 분자량
316.4 g/mol
단동위원소 질량
314.88526776

이름 및 식별자

우선 이름
1,3,5-Trichloro-2,4,6-trinitrobenzene
IUPAC
1,3,5-trichloro-2,4,6-trinitrobenzene
현지명
1,3,5-트리클로로트리니트로벤젠
영어명
1,3,5-trichlorotrinitrobenzene
분자식
C6Cl3N3O6
분자량
316.4397

이름 및 동의어

1,3,5-Trichloro-2,4,6-trinitrobenzeneBulbosan2631-68-7TCTNBsym-TrichlorotrinitrobenzeneTrichloro-1,3,5-trinitrobenzene1,3,5-TrichlorotrinitrobenzeneBenzene, 1,3,5-trichloro-2,4,6-trinitro-EINECS 220-115-1NSC 312457BRN 20632355W43E2LG8X
이름 더 보기
1,3,5-트리클로로트리니트로벤젠Bulbosan, TCTNB, 1,3,5-Trichloro-2,4,6-trinitrobenzene
NSC-3124572,4,6-trinitro-1,3,5-trichlorobenzeneDTXSID40625654-05-00-00758 (Beilstein Handbook Reference)TRICHLORO-2,4,6-TRINITROBENZENE, 1,3,5-RefChem:412631symTrichlorotrinitrobenzene1,3,5Trichlorotrinitrobenzene

데이터베이스 식별자

CAS
2631-68-7
PubChem CID
17518
DTXSID
DTXSID4062565
UNII
5W43E2LG8X
EC Number
220-115-1
Nikkaji
J7.638D

물성

구조 계산 물성

XLogP
2.6
극성 표면적
137 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
0
무거운 원자 수
18

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure0.00000022 [mmHg]
Physical DescriptionWet Solid

물리화학적 성질

녹는점
193 °C · 193 °C
끓는 점
319.45 °C · 319.45°C (rough estimate)
밀도
1.9924 · 1.9924 (estimate)
InChI
InChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16
InChIKey
LZMONXBJUOXABQ-UHFFFAOYSA-N
SMILES
C1(Cl)=C([N+]([O-])=O)C(Cl)=C([N+]([O-])=O)C(Cl)=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, 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 Information · 2건

Benzene, 1,3,5-trichloro-2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3,5-trichloro-2,4,6-trinitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34156

Hazards SummaryA mild skin and severe eye irritant; Causes other somnolence and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] See 1,3,5-Trinitrobenzene. See Trinitrochlorobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

독성 정보

Toxicity DataLCLo (rat) = 684 mg/m3/1hr

안전 데이터

tsca
TSCA listed
독성
LCLo ihl-rat: 684 mg/m3/1H NTIS** UCRL-13701

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb
Industry UsesEnergy Releasers (explosives, motive propellant)
General Manufacturing Information · 2건

Explosives Manufacturing

Benzene, 1,3,5-trichloro-2,4,6-trinitro-: ACTIVE

상·하류 제품 정보

공급사12 곳

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]

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