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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 184
실험 및 물리화학적 성질
Physical Description
2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)
Light yellow solid; [NTP] Light yellow powder; [Sigma-Aldrich MSDS]
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
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Green
- 수용성
- 26.04 mg/L · 26.04mg/L(20℃)
- BRN
- 2211951 · 2211951
- Henry's Law Constant
- 1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
- InChIKey
- BGKIECJVXXHLDP-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1Cl
- EPA
- 1 · 1,2,3-Trichloro-4-nitrobenzene (17700-09-3)
화학적 성질
white to light yellow crystal powder
안전 및 규제
GHS 분류
GHS Classification
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
안전 및 보호
First Aid
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
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.
Personal Protective Equipment (PPE)
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
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
- hazard_code
- Xn
- safety_code
- 26-37/39-36/37
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
응용 분야
일반 설명Needles or light yellow fluffy solid.
상·하류 제품 정보
하류 제품
공급사2 곳
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