3,4-Dichlorobenzyl chloride (HCID 7609)

名称と識別子

優先名称: 3,4-Dichlorobenzyl chloride
IUPAC: 1,2-dichloro-4-(chloromethyl)benzene
現地名: 3,4-ジクロロベンジルクロリド
英語名: 1,2-Dichloro-4-(chloromethyl)benzene
分子式: C7H5Cl3
分子量: 195.47

名称と別名

3,4-Dichlorobenzyl chloride102-47-61,2-DICHLORO-4-(CHLOROMETHYL)BENZENEBenzene, 1,2-dichloro-4-(chloromethyl)-alpha,3,4-Trichlorotoluene.alpha.,3,4-Trichlorotoluene3,4-Dichlorophenylmethyl chlorideToluene, .alpha.,3,4-trichloro-UNII-451PB8SMIE451PB8SMIEEINECS 203-033-03,4-dichloro-1-(chloromethyl)benzene

名称をさらに表示

3,4-ジクロロベンジルクロリドα,3,4-トリクロロトルエン3,4-ジクロロベンジルクロリド1,2-ジクロロ-4-(クロロメチル)ベンゼン1-(クロロメチル)-3,4-ジクロロベンゼン3,4,α-トリクロロトルエン3，4ジクロロベンジルクロライド塩化3,4-ジクロロベンジル3,4-ジクロロベンジルクロライド３，４ジクロロベンジルクロリド3,4‐ジクロロベンジルクロリド3,4-ジクロロベンジル=クロリド塩化3,4-ジクロロベンジル, 98%3,4-DCBCAKOS BBS-000039553,4-Dichlorobenzyl3，4，Α-Trichlorotolue3,4-Dichlorobenzyl CA,3,4-TRICHLOROTOLUENE3，4，α-Trichlorotolueneà,3,4-trichlorotolueneClofazimine Impurity 10

NSC 406893NSC-406893AI3-14887DTXSID9059252Toluene, alpha,3,4-trichloro-3,4,.ALPHA.-TRICHLOROTOLUENEBenzene, 3,4-dichloro-1-chloromethyl4-CHLOROMETHYL-1,2-DICHLOROBENZENE

データベース識別子

CAS: 102-47-6
PubChem CID: 7609
DTXSID: DTXSID9059252
UNII: 451PB8SMIE
EC Number: 203-033-0
Nikkaji: J91.328F

物性

構造計算による物性

XLogP: 4
極性表面積: 0 Å²
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: 10
形式電荷: 0
複雑度: 105

実験および物理化学的性質

Kovats Retention Index1355.8；1353.6

物理化学的性質

融点: -3 °C · -3 °C
沸点: 122 · 122-124 °C14 mm Hg(lit.)
比重(密度): 1.411 g/mL · 1.411 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.577(lit.)
闪点: 155 °C · 155 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Chloroform, Methanol (Slightly)
外見: 液体
比重: 1.409 · 1.409
色: 無色透明～ごくわずかに黄色
BRN: 386644 · 386644
InChI: InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey: YZIFVWOCPGPNHB-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(CCl)C=C1Cl
CAS データベース: 102 · 102-47-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6)
EPAの化学物質情報: 1 · Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6)

化学的性質

化学的特性CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-

Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (94.1%)；STOT SE 3 (88.2%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-

Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29036990
risk_code: 34-36/37
化審法: (3)-91
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,2-dichloro-4-(chloromethyl)-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole