3,5-二氯苯异氰酸酯 (HCID 94460)

名称与标识

首选名称: 3,5-Dichlorophenyl isocyanate
IUPAC: 1,3-dichloro-5-isocyanatobenzene
中文名: 3,5-二氯苯异氰酸酯
英文名: 3,5-Dichlorophenyl isocyanate
分子式: C7H3Cl2NO
分子量: 188.01

名称与别名

3,5-Dichlorophenyl isocyanate34893-92-0Benzene, 1,3-dichloro-5-isocyanato-EINECS 252-276-9DTXSID2067878EC 252-276-9RefChem:91489DTXCID4038922XEFUJGURFLOFAN-UHFFFAOYSA-N1,3-Dichloro-5-isocyanatobenzene3,5-Dichlorophenylisocyanate3,5-Dichlorophenylisocyantae

展开更多名称

3,5-二氯苯异氰酸3,5-二氯苯异氰酸酯3,5-二氯异氰酸苯酯异氰酸3。5-二氯苯酯1,3-二氯-5-异氰酸基苯1,3-二氯-5-异氰酸基-苯3,5-二氯异氰酸苯酯,97%苯,1,3-二氯-5-异氰酸基-3,5-二氯苯异氰酸酯/DCPI3,5-二氯苯异氰酸酯(充氮低温)3,5-Dichlorophenyl i3,5-Dichlorophenyl isocyate3,5-DICHLOROISOCYANATOBENZENE3,5-dichlorobenzene isocyanate3,5-DichlorophenylIsocyanate>1-Isocyanato-3,5-dichlorobenzene1,3-dichloro-5-isocyanato-benzen

MFCD000138591,3-Dichloro-5-isocyanato-benzeneIsocyanic Acid 3,5-Dichlorophenyl Ester3,5-dichlorobenzenisocyanate3,5-Dichlorophenyl isocyantae3,5dichlorophenyl isocyanateSCHEMBL934103,5-dichloro-phenylisocyanate

数据库标识

CAS: 34893-92-0
PubChem CID: 94460
DTXSID: DTXSID2067878
EC Number: 252-276-9
Nikkaji: J30.182E

性质

结构计算性质

XLogP: 4
极性表面积: 29.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 169

物理化学性质

熔点: 32 · 32-34 °C (lit.)
沸点: 243 °C · 243 °C
密度: 1.38 g/mL · 1.38 g/mL at 25 °C (lit.)
蒸气压: 4.7 · 4.7-8.1Pa at 25℃
折射率: 1.6 · 1.6000 (estimate)
闪点: 230 °F · >230 °F
储存条件: -20 °C · -20°C Freezer
溶解度: decomposes
形态: Low Melting Solid
颜色: White to slightly yellow
水溶解性: decomposes
敏感性: Moisture Sensitive
BRN: 510282 · 510282
Henry's Law Constant: 7.7 · 7.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey: XEFUJGURFLOFAN-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)cc(c1)N=C=O
LogP: 3.88 · 3.88
CAS 数据库: 34893 · 34893-92-0(CAS DataBase Reference)
NIST化学物质信息: 3 · 3,5-Dichlorophenyl isocyanate(34893-92-0)
EPA化学物质信息: 3 · 3,5-Dichlorophenyl isocyanate (34893-92-0)

化学性质

3，5-二氯苯基异氰酸酯纯品为白色结晶，m.p.40～41℃，b.p.116.7～118.1℃/1.4×103Pa，具有较强的刺激性气味，易溶于甲苯、二甲苯和氯苯等有机溶剂，密闭干燥条件下贮存时性质稳定。

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (27%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationStatus: Active Update: 22-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/1925

Hazard Classes and CategoriesAcute Tox. 3 (27%)

安全数据

F: 19-21
wgk: 3
tsca: TSCA listed
包装类别: II
危险等级: 6.1
存储类别: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
安全说明: 26-27-36/37/39-45-38-37/39-28A
海关编码: 29291090
危险品标志: T,T+
危险性类别: Acute Tox. 1 InhalationAquatic Chronic 2Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1ASTOT SE 3
危险类别码: 23/24/25-36/37/38-42-26
危险品运输编号: UN 2250 6.1/PG 2

化学与工业

用途与制造

General Manufacturing InformationBenzene, 1,3-dichloro-5-isocyanato-: ACTIVE

应用领域

用途3，5-二氯苯基异氰酸酯是杀菌剂异菌脲的中间体。

制备方法

生产方法其制备方法是将甲苯、3，5-二氯苯胺投入到反应釜中，待3，5-二氯苯胺全部溶解后，通光气，控制反应温度-10～0℃，通光气时间约6h，通光气完毕后，将物料转入热反应釜，加热升温到105℃左右，物料变透明，再保温回流一定时间，通入氮气，驱赶光气和氯化氢，由专门的吸收装置破坏，驱赶毕，将物料降至室温即为产品。