基本情報
- 標準SMILES
ClCc1ccccc1Cl- InChIKey
BASMANVIUSSIIM-UHFFFAOYSA-N- 分子式
- C7H6Cl2
- 平均分子量
- 161.03 g/mol
- 単同位体質量
- 159.98465555
概要
inhibits growth of Saccharomyces cerevisiae & lowers the contents of fatty acids & sterols
名称と識別子
- 優先名称
- 2-Chlorobenzyl chloride
- IUPAC
- 1-chloro-2-(chloromethyl)benzene
- 現地名
- 2-クロロベンジル クロリド
- 英語名
- 2-Chlorobenzyl chloride
- 分子式
- C7H6Cl2
- 分子量
- 161.03
名称と別名
2-Chlorobenzyl chloride611-19-81-Chloro-2-(chloromethyl)benzeneo-Chlorobenzyl chloridealpha,2-Dichlorotoluene2-Chlorobenzylchloridealpha,o-DichlorotolueneBenzene, 1-chloro-2-(chloromethyl)-DTXSID3027241ortho-Chlorobenzyl chlorideH58DI83RMDNSC-8446
名称をさらに表示
2-クロロベンジル クロリド2-クロロベンジルクロリド1-クロロ-2-(クロロメチル)ベンゼン1-クロロ-2-クロロメチルベンゼンα,o-ジクロロトルエン(2-クロロベンジル)クロリドα,2-ジクロロトルエン1-(クロロメチル)-2-クロロベンゼンo-クロロベンジルクロリド2-クロロベンジルクロライドo-クロロベンジルクロライド2-クロロベンジルクロライド 塩化物塩化O-クロロベンジルｏクロロベンジルクロリド塩化2-クロロベンジルΑ,O‐ジクロロトルエンOCBCO-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
データベース識別子
- CAS
40795-52-6、611-19-8- PubChem CID
- 11906
- DTXSID
DTXSID3027241- ChEMBL
CHEMBL3187054- UNII
- H58DI83RMD
- EC Number
- 210-258-8
- Nikkaji
- J91.319G
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 83
実験および物理化学的性質
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.
物理化学的性質
- 融点
- -13 °C · -13 °C
- 沸点
- 213 · 213-214 °C (lit.)
- 比重(密度)
- 1.274 g/mL · 1.274 g/mL at 25 °C (lit.)
- 蒸気密度
- 5.5 · 5.5 (vs air)
- 蒸気圧
- 3 mm · 3 mm Hg ( 84 °C)
- 屈折率
- 20 · n20/D 1.559(lit.)
- 闪点
- 180 °F · 180 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 無色透明～微黄色透明
- 爆発限界(explosive limit)
- 1.5 · 1.5-7.8%(V)
- 水溶解度
- 不溶性
- 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
- CAS データベース
- 611 · 611-19-8(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Benzene, 1-chloro-2-(chloromethyl)-(611-19-8)
- EPAの化学物質情報
- 2 · 2-Chlorobenzyl chloride (611-19-8)
化学的性質
化学的特性Colorless to light yellow liqui
安全と法規制
GHS分類
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
危険有害性情報
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
安全と保護具
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.
毒性情報
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
安全データ
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ0195000
- ridadr
- UN 2235 6.1/PG 3
- PRTR法
- 第一種指定化学物質
- hs_code
- 29036990
- risk_code
- 34-43-50/53-20/21/22
- 化審法
- (3)-91, (3)-78
- 消防法
- 危-4-3-III
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-29
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
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
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
山东艾特化工有限公司18615658326 18615658326 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
関連反応
152 件
関連ノート
読み込み中…