3,4,5-Trichloronitrobenzene (HCID 88365)

개요

3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름: 3,4,5-Trichloronitrobenzene
IUPAC: 1,2,3-trichloro-5-nitrobenzene
현지명: 1,2,3-트리클로로-5-니트로벤젠
영어명: 3,4,5-Trichloronitrobenzene
분자식: C6H2Cl3NO2
분자량: 226.44

이름 및 동의어

3,4,5-Trichloronitrobenzene1,2,3-Trichloro-5-nitrobenzene20098-48-0Benzene, 1,2,3-trichloro-5-nitro-DTXSID50262053,4,5-trichloro-1-nitrobenzeneEINECS 243-511-6UNII-AH0CU8672KAH0CU8672KNSC-523881DTXCID006205NSC 523881

이름 더 보기

1,2,3-트리클로로-5-니트로벤젠1,2,3-트라이클로로-5-나이트로벤젠Anagrelide Impurity 113,4,5-Trichlornitrobenzol3,4,5-DICHLORONITROBENZENE1,2,3-TRICHLORO-5-NITROBENZNE5-NITRO-1,2,3-TRICHLOROBENZENEBenzene,1,2,3-trichloro-5-nitro-1,2,3-Trichloro-5-nitrobenzene,98%

TRICHLORONITROBENZENE, 3,4,5-RefChem:90910BENZENE, 1,2,3-TRICHLORO-5-NITROHHLCSFGOTLUREE-UHFFFAOYSA-NInChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2MFCD00061096Anagrelide Impurity 151,2,3-trichloro-5-nitro-benzene

데이터베이스 식별자

CAS: 20098-48-0
PubChem CID: 88365
DTXSID: DTXSID5026205
ChEMBL: CHEMBL1443813
UNII: AH0CU8672K
EC Number: 243-511-6
Nikkaji: J141.356B

물성

구조 계산 물성

XLogP: 3.9
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: 172

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

Density1.807 (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 59 °F (NTP, 1992)

Melting Point162.5 °F (NTP, 1992)

Physical Description3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

물리화학적 성질

녹는점: 68 · 68-71 °C (lit.)
끓는 점: 288 °C · 288°C (rough estimate)
밀도: 1.807 · 1.8070
굴절률: 1.63 · 1.6300 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 창백한 오렌지
수용성: 15 °C에서 · 15°C에서 <0.1g/100mL
BRN: 2505480 · 2505480
InChI: InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey: HHLCSFGOTLUREE-UHFFFAOYSA-N
SMILES: C1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1Cl
NIST: 1 · Benzene, 1,2,3-trichloro-5-nitro-(20098-48-0)
EPA: 1 · Benzene, 1,2,3-trichloro-5-nitro- (20098-48-0)

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 44.6% (37 of 83) of reports.

Warning

H302 (54.2%): 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 83 reports by companies from 7 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; however, it is probably combustible. (NTP, 1992)

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

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

Reactivity ProfileThis type of compound is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).

Air and Water ReactionsInsoluble in water.

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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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)