2,4,5-Trichloronitrobenzene (HCID 6983)

개요

Prisms or needles in alcohol; yellow powder. (NTP, 1992)

이름 및 식별자

우선 이름: 2,4,5-Trichloronitrobenzene
IUPAC: 1,2,4-trichloro-5-nitrobenzene
현지명: 2,4,5-트리클로로니트로벤젠
영어명: 1,2,4-Trichloro-5-nitrobenzene
분자식: C6H2Cl3NO2
분자량: 226.44

이름 및 동의어

2,4,5-TRICHLORONITROBENZENE1,2,4-Trichloro-5-nitrobenzene89-69-0Benzene, 1,2,4-trichloro-5-nitro-1-Nitro-2,4,5-trichlorobenzene5-Nitro-1,2,4-trichlorobenzene2,4,5-trichloro-1-nitrobenzene3,4,6-TrichloronitrobenzeneMFCD00007072DTXSID50262030YFY8PZD2M1,4,5-Trichloro-2-nitrobenzene

이름 더 보기

2,4,5-트리클로로니트로벤젠2,4,5-TrichloronitroBifeprunox Impurity 522,3-DICHLOROANISOLE PESTANAL1,2,4-trichloro-5-nitro-benzen

NSC-50660NSC-56980NSC-609752,5-TrichloronitrobenzeneWLN: WNR BG DG EG1,4-Trichloro-5-nitrobenzeneBenzene,2,4-trichloro-5-nitro-2,4,5-Trichloronitrobenzene- 13C6

데이터베이스 식별자

CAS: 89-69-0
PubChem CID: 6983
DTXSID: DTXSID5026203
ChEMBL: CHEMBL1323107
UNII: 0YFY8PZD2M
EC Number: 201-931-7
Nikkaji: J2.838J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic

SpringerMaterials PropertiesBoiling point

LogP3.48

Density1.79 at 73 °F (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)

Flash Pointgreater than 230 °F (NTP, 1992)

물리화학적 성질

녹는점: 52 · 52-57 °C
끓는 점: 288 °C · 288 °C
밀도: 1.79 · 1.79
굴절률: 1.63 · 1.6300 (estimate)
인화점: 170 °C · 170 °C
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
색상: 2 · EtOH 또는 CS2에서 결정화된 프리즘 결정
수용성: 27 mg/L · 27mg/L(20℃)
NIST: 1 · Benzene, 1,2,4-trichloro-5-nitro-(89-69-0)
EPA: 2 · 2,4,5-Trichloronitrobenzene (89-69-0)

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 48.1% (37 of 77) of reports.

Danger

H301 (49.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

DOT LabelPoison

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Exposure to this compound may cause eye and skin irritation. Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes cyanosis.

Hazards Summary · 1건

An irritant; May induce methemoglobinemia; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion; Harmful by inhalation and skin absorption; [Sigma-Aldrich MSDS] See Pentachloronitrobenzene and 2,3,4,5-Tetrachloronitrobenzene.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

안전 및 보호

Fire FightingFires involving this compound can be controlled using 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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)]:

Protective Action Criteria (PAC) · 3건

2.3 [mg/m3]

25 [mg/m3]

150 [mg/m3]

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

tsca: TSCA listed
rtecs: DC2275000
ridadr: 3077
독성: LDLo orl-mus: 1070 mg/kg AECTCV 14,111,85
HS 번호: 29392900
risk_code: 50/53-20/21/22
hazard_code: N-Xn,N,Xn
safety_code: 61-60-36/37-28-25
포장분류: III
위험 등급: 6.1(b)
위험 참고 사항: Harmful

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,2,4-trichloro-5-nitro-: ACTIVE

응용 분야 · 2건

용도2,4,5-Trichloronitrobenzene, is one of the by-products of Lindane (L465990) production, that can be used for agricultural crop protection. It is also used as an intermediate for the synthesis of various chemical compounds, such as a new class of 1H-benzimidazolecarboxamidines, acting as antibacterial and antifungal agents.

일반 설명Prisms or needles in alcohol; yellow powder.