2,3,4-Trichloronitrobenzene

HCID 28697CAS 17700-09-3

기본 정보

표준 SMILES
O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl
InChIKey
BGKIECJVXXHLDP-UHFFFAOYSA-N
분자식
C6H2Cl3NO2
평균 분자량
226.4 g/mol
단동위원소 질량
224.91511134

개요

2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)

이름 및 식별자

우선 이름
2,3,4-Trichloronitrobenzene
IUPAC
1,2,3-trichloro-4-nitrobenzene
영어명
2,3,4-TRICHLORONITROBENZENE
분자식
C6H2Cl3NO2
분자량
226.44

이름 및 동의어

1,2,3-Trichloro-4-nitrobenzene2,3,4-TRICHLORONITROBENZENE17700-09-32,3,4-Trichloro-1-nitrobenzeneBenzene, 1,2,3-trichloro-4-nitro-4-Nitro-1,2,3-trichlorobenzeneBenzene, 4-nitro-1,2,3-trichloro-DTXSID0026202EINECS 241-705-5NSC 91490BRN 22119511-Nitro-2,3,4-trichlorobenzene
이름 더 보기
TIMTEC-BB SBB009919Anagrelide Impurity 131,2,3-Trichloronitrobenzene2,3,4-Trichloroniteobenzene4-nitro-1,2,3-trichlorobenze4-nitro-1,2,3-trichloro-benzen
NSC-91490339A4728AKDTXCID8062022-05-00-00186 (Beilstein Handbook Reference)TRICHLORONITROBENZENE, 2,3,4-RefChem:4417242,3,4Trichloronitrobenzene1Nitro2,3,4trichlorobenzene

데이터베이스 식별자

CAS
17700-09-3、29595-61-7
PubChem CID
28697
DTXSID
DTXSID0026202
ChEMBL
CHEMBL354330
UNII
339A4728AK
EC Number
241-705-5、249-716-7
Nikkaji
J141.353H

물성

구조 계산 물성

XLogP
3.6
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP3.54
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point131 to 133 °F (NTP, 1992)
Vapor Pressure0.000792 [mmHg]

물리화학적 성질

녹는점
53 · 53-56 °C(lit.)
끓는 점
296.2 · 296.2±35.0 °C(Predicted)
밀도
1.7193 · 1.7193 (rough estimate)
굴절률
1.63 · 1.6300 (estimate)
인화점
230 °F · >230 °F
저장 조건
2 · 2-8°C

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 45.7% (37 of 81) of reports.

Warning

H302 (54.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 81 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryA skin and eye irritant; May induce methemoglobinemia; Readily absorbed through skin; [IUCLID] A skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; May induce methemoglobinemia; [Sigma-Aldrich MSDS]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2,3,4-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk
3
rtecs
DA6612000
ridadr
UN 1578 6.1/PG 2
독성
mic-sat 410 mLg/plate MUREAV 116,217,1983
HS 번호
29049095
risk_code
20/21/22-36/37/38

화학 및 산업

응용 분야

일반 설명Needles or light yellow fluffy solid.

공급사2 곳

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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