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4-클로로-1,1'-바이페닐

4-Chlorobiphenyl

HCID 16323
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2051-62-9
표준 SMILES
Clc1ccc(-c2ccccc2)cc1
InChIKey
FPWNLURCHDRMHC-UHFFFAOYSA-N
분자식
C12H9Cl
평균 분자량
188.65 g/mol
단동위원소 질량
188.039278

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

4-CHLOROBIPHENYL4-Chloro-1,1'-biphenyl2051-62-9p-Chlorobiphenylp-Chlorodiphenyl1-Chloro-4-phenylbenzene4-ChlorodiphenylBiphenyl, 4-chloro-4-Monochlorobiphenyl4-ChlorbiphenylPCB 34-Monochloro-biphenyl
이름 더 보기
4-클로로-1,1'-바이페닐4-PCBBZNO 3PCB NO 3NSC 370664-PCB, PCB #34-chloro-biphenyρ-Chlorobiphenyl
DTXSID30403001-chloro-4-phenyl benzeneQA22Z3NGLUNSC-37066DTXCID1020300CHEBI:27757RefChem:53601218-127-7

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

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.63
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point556 °F at 760 mmHg (NTP, 1992)
Melting Point171.9 °F (NTP, 1992)
Vapor Pressure1 mmHg at 205.5 °F ; 10 mmHg at 294.8 °F; 760 mmHg at 559.2 °F (NTP, 1992)
Physical Description4-chlorobiphenyl appears as colorless crystals or shiny off-white flakes. (NTP, 1992)
Collision Cross Section134.1 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

물리화학적 성질

녹는점
32 °C · 32 °C(lit.)
끓는 점
130 °C/1mm · 130°C/1mm

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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

Regulatory InformationSubstance: 4-chlorobiphenyl
DOT LabelClass 9
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical include skin, eye, mucous membrane and upper respiratory tract irritation.
Reactive GroupAryl Halides
Reactivity Profile · 1건

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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSTOT RE 2 (94.1%)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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 · 1건

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

Benzenediazonium, p-chloro-, tetrafluoroborate(1-)트리에톡시페닐실란(4-클로로페닐)하이드라진p-다이클로로벤젠

관련 반응

48건
반응 기록 만들기
HRID 39606 반응식
HRID 39606반응물로uspto-grants-2013_09
HRID 50152 반응식
HRID 50152생성물로반응물로uspto-grants-2004_03
HRID 111433 반응식
HRID 111433반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 150732 반응식
HRID 150732반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 168091 반응식
HRID 168091반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 191269 반응식
HRID 191269반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 290209 반응식
HRID 290209반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 342735 반응식
HRID 342735반응물로uspto-grants-1999_01
1 / 6 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
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 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: 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.

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)
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

Treatment · 1건

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 · 1건

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)

Exposure RoutesOral (L4) ; inhalation (L4) ; dermal (L4)
Toxicity Summary · 1건

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)

Signs and SymptomsChronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3)
Carcinogen Classification1, carcinogenic to humans. (L135)
Toxicity DataLD50: 1010 mg/kg (Oral, Rat) (T14) LD50: 880 mg/kg (Intraperitoneal, Mouse) (T14)

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

하류 제품

4-Isopropylbiphenyl4-BiphenylacetonitrileN-4-비페닐일벤젠술폰아미드Phosphine sulfide, tris([1,1'-biphenyl]-4-yl)-

추가 설명

정의ChEBI: A monochlorobiphenyl carrying a chloro substituent at position 4.