기본 정보
- 표준 SMILES
Clc1ccc(-c2ccccc2)cc1- InChIKey
FPWNLURCHDRMHC-UHFFFAOYSA-N- 분자식
- C12H9Cl
- 평균 분자량
- 188.65 g/mol
- 단동위원소 질량
- 188.03927797
개요
4-chlorobiphenyl appears as colorless crystals or shiny off-white flakes. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 4-Chlorobiphenyl
- IUPAC
- 1-chloro-4-phenylbenzene
- 현지명
- 4-클로로-1,1'-바이페닐
- 영어명
- 4-Chlorobiphenyl
- 분자식
- C12H9Cl
- 분자량
- 188.65
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2051-62-9- PubChem CID
- 16323
- DTXSID
DTXSID3040300- ChEMBL
CHEMBL276334- ChEBI
CHEBI:27757- UNII
- QA22Z3NGLU
- EC Number
- 218-127-7
- Nikkaji
- J47.611K
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 32 °C · 32 °C(lit.)
- 끓는 점
- 130 °C/1mm · 130°C/1mm
- 밀도
- 1.132 · 1.1320 (estimate)
- 굴절률
- 1.583 · 1.5830 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 22 · 22&C에서 <0.1g/100mL
- Henry's Law Constant
- 2.8 · 2.8×10-2 mol/(m3Pa) at 25℃, Li et al. (2003)
- 주요 응용
- 환경
- InChI
- InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
- InChIKey
- FPWNLURCHDRMHC-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2)=CC=C(Cl)C=C1
- NIST
- 1 · 1,1'-Biphenyl, 4-chloro-(2051-62-9)
- EPA
- 4 · 4-Chlorobiphenyl (2051-62-9)
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H373 (94.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
Simple aromatic halogenated organic compounds, such as 4-CHLOROBIPHENYL, 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: 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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 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)
독성 정보
Treatment
There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4)
Health Effects
The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4)
Toxicity Summary
The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66)
안전 데이터
- wgk
- 3
- rtecs
- DV2080000
- ridadr
- UN 3432 9/PG 2
- 독성
- mammal (species unspecified),LDLo,oral,3500mg/kg (3500mg/kg),Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.
- HS 번호
- 2903998090
- risk_code
- 33-50/53-36/37/38
- hazard_code
- N,Xi
- safety_code
- 35-60-61-36-26
- 포장분류
- III
- 위험 등급
- 9
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1STOT RE 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/Metabolites
PCBs are absorbed via inhalation, oral, and dermal routes of exposure. They are trasported in the blood, often bound to albumin. Due to their lipophilic nature they tend to accumulate in lipid-rich tissues, such as the liver, adipose, and skin. Metabolism of PCBs is very slow and varies based on the degree and position of chlorination. PCBs are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 enzymes to polar metabolites that can undergo conjugation with glutathione and glucuronic acid. The major metabolites are hydroxylated products which are excreted in the bile and faeces. The slow metabolism of PCBs means they tend to accumulate in body tissues. (L4, T6)
용도 및 제조
Uses
PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)
응용 분야
용도4-Chloro-1,1’-biphenyl (cas# 2051-62-9) is a compound useful in organic synthesis.
일반 설명Colorless crystals or shiny off-white flakes.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A monochlorobiphenyl carrying a chloro substituent at position 4.
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