α-クロロ-m-キシレン

m-Xylyl chloride

HCID 12102CAS 620-19-9
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cccc(CCl)c1
InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-N
分子式
C8H9Cl
平均分子量
140.61 g/mol
単同位体質量
140.03927797

名称と識別子

優先名称
m-Xylyl chloride
IUPAC
1-(chloromethyl)-3-methylbenzene
現地名
α-クロロ-m-キシレン
英語名
3-Methylbenzyl chloride
分子式
C8H9Cl
分子量
140.61

名称と別名

3-Methylbenzyl chloride620-19-91-(chloromethyl)-3-methylbenzenem-Xylyl chloridem-Methylbenzyl chlorideALPHA-CHLORO-M-XYLENEm-(Chloromethyl)toluene3-(Chloromethyl)tolueneBenzene, 1-(chloromethyl)-3-methyl-.alpha.-Chloro-m-xylenem-Xylyl-.alpha.-chloridem-Xylyl-alpha-chloride
名称をさらに表示
α-クロロ-m-キシレン3-メチルベンジルクロリドm-(クロロメチル)トルエン(m-トリルメチル)クロリド1-メチル-3-(クロロメチル)ベンゼンm-メチルベンジルクロリド塩化(m-メチルベンジル)3-(クロロメチル)トルエン3-メチル-1-(クロロメチル)ベンゼン1-クロロメチル-3-メチルベンゼンm-キシリルクロリドω-クロロ-m-キシレン1-(クロロメチル)-3-メチルベンゼン3メチルベンジルクロリドΑ‐クロロ‐M‐キシレン塩化3-メチルベンジルm-塩化(メチルベンジル)m-メチルベンジルクロライドm-キシレンモノクロライドMBC1-Chloromethyl-3-methylbenzeneα-chloro-m-xylene3-MBC-Chloro-m-xyleneAKOS BBS-00004023A-CHLORO-M-XYLENEà-chloro-m-xylene3-Methylbenzyl chlor
3-methylphenylmethyl chlorideNSC 765921-Methyl-3-chloromethylbenzenem-Xylene, alpha-chloro-EINECS 210-628-9NSC-76592771291VTT8M-XYLYL CHLORIDE [MI]

データベース識別子

CAS
620-19-9
PubChem CID
12102
DTXSID
DTXSID60211034
UNII
771291VTT8
EC Number
210-628-9
Nikkaji
J1.671C

物性

構造計算による物性

XLogP
2.9
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

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionLiquid

物理化学的性質

融点
-41.95 °C · -41.95°C (estimate)
沸点
195 · 195-196 °C(lit.)
比重(密度)
1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.535(lit.)
闪点
168 °F · 168 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (36.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzene, 1-(chloromethyl)-3-methyl-

Benzene, 1-(chloromethyl)-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(chloromethyl)-3-methyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

3-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (36.5%)

安全データ

wgk
2
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29036990
risk_code
34-36/37-36/37/38
化審法
(3)-2691

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Benzene, 1-(chloromethyl)-3-methyl-: ACTIVE

応用分野

使用3-Methylbenzyl chloride is used as an organic light-emitting diode and as an intermediate in organic synthesis.

上流・下流製品情報

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

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