기본 정보
- 표준 SMILES
ClCc1ccccc1Cl- InChIKey
BASMANVIUSSIIM-UHFFFAOYSA-N- 분자식
- C7H6Cl2
- 평균 분자량
- 161.03 g/mol
- 단동위원소 질량
- 159.98465555
개요
inhibits growth of Saccharomyces cerevisiae & lowers the contents of fatty acids & sterols
이름 및 식별자
- 우선 이름
- 2-Chlorobenzyl chloride
- IUPAC
- 1-chloro-2-(chloromethyl)benzene
- 현지명
- o-클로로벤질클로라이드
- 영어명
- 2-Chlorobenzyl chloride
- 분자식
- C7H6Cl2
- 분자량
- 161.03
이름 및 동의어
2-Chlorobenzyl chloride611-19-81-Chloro-2-(chloromethyl)benzeneo-Chlorobenzyl chloridealpha,2-Dichlorotoluene2-Chlorobenzylchloridealpha,o-DichlorotolueneBenzene, 1-chloro-2-(chloromethyl)-DTXSID3027241ortho-Chlorobenzyl chlorideH58DI83RMDNSC-8446
이름 더 보기
1-클로로-2-(클로로메틸)벤젠o-클로로벤질클로라이드2-클로로벤질 클로라이드OCBCO-chlorobenzylAKOS BBS-00004019,2-DichlorotolueneA,O-DICHLOROTOLUENEo,α-Dichlorotolueneà,2-dichlorotolueneα,2-dichlorotoluene2-Chlorobenzyl chlor
DTXCID707241RefChem:470392210-258-81-Chloro-2-chloromethyl-benzeneToluene, o,.alpha.-dichloro-Benzene, chloro(chloromethyl)-.alpha.,o-Dichlorotolueneo,.alpha.-Dichlorotoluene
데이터베이스 식별자
- CAS
40795-52-6、611-19-8- PubChem CID
- 11906
- DTXSID
DTXSID3027241- ChEMBL
CHEMBL3187054- UNII
- H58DI83RMD
- EC Number
- 210-258-8
- Nikkaji
- J91.319G
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 83
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
LogP3.32
Density
1.3 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Viscosity1.95 mm²/s at 20 °C
SolubilitySolubility in water, g/100ml at 25 °C: 0.01 (very poor)
Flash Point91 °C
Boiling Point213 °C
Melting Point-17 °C
Vapor DensityRelative vapor density (air = 1): 5.5
Vapor Pressure
0.15 [mmHg]
Vapor pressure, kPa at 25 °C: 0.02
Physical Description
Liquid
Clear, colorless liquid with a pungent odor; [OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003]
COLOURLESS LIQUID WITH PUNGENT ODOUR.
물리화학적 성질
- 녹는점
- -13 °C · -13 °C
- 끓는 점
- 213 · 213-214 °C (lit.)
- 밀도
- 1.274 g/mL · 1.274 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.5 · 5.5 (vs air)
- 증기압
- 3 mm · 3 mm Hg ( 84 °C)
- 굴절률
- 20 · n20/D 1.559(lit.)
- 인화점
- 180 °F · 180 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 무색투명~미황색
- 폭발한계
- 1.5 · 1.5-7.8%(V)
- 수용성
- 불용성
- BRN
- 471700 · 471700
- Henry's Law Constant
- 6.4 · 6.4×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChIKey
- BASMANVIUSSIIM-UHFFFAOYSA-N
- SMILES
- ClCc1ccccc1Cl
- LogP
- 3.32 at · 3.32 at 25℃ and pH6.4
- NIST
- 1 · Benzene, 1-chloro-2-(chloromethyl)-(611-19-8)
- EPA
- 2 · 2-Chlorobenzyl chloride (611-19-8)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 189) of reports.
Danger
H302+H312+H332 (75.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 189 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Benzene, 1-chloro-2-(chloromethyl)-
Benzene, 1-chloro-2-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13926
2-Chlorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 91 °C explosive vapour/air mixtures may be formed.
Hazards Summary
A skin, eye, and respiratory tract irritant; Can be absorbed through skin; [ICSC] Reacts slowly with water producing hydrogen chloride; [CAMEO] Irritating but not corrosive to skin of rabbits; No reliable skin sensitization data available; [OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003] Causes burns; A lachrymator; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by inhalation; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Chlorobenzyl chlorides.
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III
Chemical DangersDecomposes on burning. This produces hydrogen chloride.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and Categories
Acute Tox. 4 (78.8%)
Acute toxicity (Oral) - Category 4
Explosive Limits and PotentialExplosive limits , vol% in air: 2.0-8.6
안전 및 보호
Fire FightingUse foam, water spray, dry powder, carbon dioxide.
First Aid Measures
Fresh air, rest. Seek medical attention if you feel unwell.
Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth. Do NOT induce vomiting. Refer for medical attention if you fell unwell.
Safe StorageVentilation along the floor. Store only in original container. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
Exposure Control and Personal Protection5.0 [ppm]
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable plastic containers. Carefully collect remainder. Then store and dispose of according to local regulations.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Above 91 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation or local exhaust.
Effects of Short Term ExposureThe substance is irritating to the eyes, skin and respiratory tract.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Signs and Symptoms
Cough.
Redness.
Redness. Pain.
Sore throat.
ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Toxicity DataLC50 (rat) > 2,800 mg/m3
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ0195000
- ridadr
- UN 2235 6.1/PG 3
- HS 번호
- 29036990
- risk_code
- 34-43-50/53-20/21/22
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-29
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 19-21
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
UsesUsed as an intermediate for organic chemicals, pharmaceuticals, and dyes; [ExPub: EPA] Used as an intermediate for herbicides; [OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003]
U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzene, 1-chloro-2-(chloromethyl)-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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