기본 정보
- 표준 SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1Cl- InChIKey
ATYLRBXENHNROH-UHFFFAOYSA-N- 분자식
- C7H3Cl5
- 평균 분자량
- 264.4 g/mol
- 단동위원소 질량
- 261.8677385
개요
3,4,alpha,alpha,alpha-pentachlorotoluene is a slightly opaque pale yellow liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 3,4-Dichlorophenyltrichloromethane
- IUPAC
- 1,2-dichloro-4-(trichloromethyl)benzene
- 영어명
- 3,4-Dichlorobenzotrichloride
- 분자식
- C7H3Cl5
- 분자량
- 264.36
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13014-24-9- PubChem CID
- 25608
- DTXSID
DTXSID2025840- ChEMBL
CHEMBL1567313- UNII
- 79ZZO7J7BA
- EC Number
- 235-869-7
- Nikkaji
- J140.752J
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 152
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 25.8 °C · 25.8°C
- 끓는 점
- 283.15 °C · 283.15°C
- 밀도
- 1.576 g/mL · 1.576 g/mL at 25 °C(lit.)
- 증기압
- 1.333 hPa · 1.333hPa at 15-50℃
- 굴절률
- 20 · n20/D >1.5890(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Almost white or Almost colorless
- LogP
- 5.18 at · 5.18 at 25℃
- NIST
- 1 · Benzene, 1,2-dichloro-4-(trichloromethyl)-(13014-24-9)
- EPA
- 3 · 3,4-Dichlorobenzotrichloride (13014-24-9)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzene, 1,2-dichloro-4-(trichloromethyl)-
Status: Active Update: 14-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31917
Reactivity Profile
Simple aromatic halogenated organic compounds, such as 3,4,ALPHA,ALPHA,ALPHA-PENTACHLOROTOLUENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% 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)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ5475000
- ridadr
- 1759
- HS 번호
- 2917399590
- 기존화학 물질
- KE-10216
화학 및 산업
용도 및 제조
응용 분야
일반 설명Slightly opaque pale yellow liquid.
공급사50 곳
관련 반응
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