1,2-dichlorobenzene

• ChemBase编号: 92279
• 分子式: C6H4Cl2
• 平均质量: 147.00196
• 单一同位素质量: 145.96900549
• SMILES: Clc1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1Cl
• InChI: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
• InChIKey: RFFLAFLAYFXFSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dichlorobenzene
• IUPAC传统名: o-dichlorobenzene
• 别名: 1,2-二氯苯 溶液; 1,2-二氯代苯, HPLC级; 1,2-二氯苯, 光谱级; 1,2-二氯苯; o-DICHLOROBENZENE; Dowtherm® E; 1,2-Dichlorobenzene solution; 1,2-Dichlorobenzene, HPLC Grade; 1,2-Dichlorobenzene, Spectrophotometric Grade; 1,2-Dichlorobenzene; 1,2-Dichlorobenzene; 1,2-Dichlorobenzene; Chloroben; Chloroden; DCB; o-Dichlor benzol; Dilantin DB; O-DICHLOROBENZENE, CERTIFIED GRADE; O-DICHLOROBENZENE, HPLC/SPECTRO GRADE; ortho-Dichlorobenzene; o-Dichlorobenzene; odcb; o-Dichlorobenzene

登记号

• CAS号: 95-50-1
• EC号: 200-659-6; 202-425-9
• MDL号: MFCD00000535
• Beilstein号: 606078
• 默克索引号: 143056
• PubChem SID: 24862390; 24893959; 24872246; 24872042; 162078977; 24854428; 24871992; 24882102; 24856382; 24854580; 24864905; 24859981
• PubChem CID: 7239
• CHEBI ID: 35290
• CHEMBL: 298461
• Chemspider ID: 13837988
• KEGG ID: C14328
• 美国药典/FDA物质标识码: 6PJ93I88XL
• 维基百科标题: 1,2-Dichlorobenzene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1813352
• LogD (pH = 7.4): 3.1813352
• Log P: 3.1813352
• 摩尔折射率: 35.6676 cm^3
• 极化性: 14.105713 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid
• 熔点: -17.03°C; -17.5 °C; -17.5°C; -17--14 °C; -18 to -17°C; -18°C; -18--17 °C(lit.)
• 沸点: 178-180 °C(lit.); 178-180°C; 180 °C; 180.5°C; 180°C; ca. 180 °C at 1013 hPa
• 闪点: 1.4 °F; 10 °C; 150.8 °F; -17 °C; 50 °F; 66 °C; 66°C; 68 °C (closed cup); 68°C(154°F)
• 自燃点: >= 600 °C; 1198 °F
• 密度: 1.298 g/cm^3 at 20 °C; 1.298 g/ml; 1.30 g/cm3; 1.305 g/mL at 20 °C; 1.306; 1.306 g/mL at 25 °C(lit.)
• 折射率: 1.551; 1.5510; n20/D 1.551; n20/D 1.551(lit.); n20/D 1.5510-1.5520; n20/D 1.552
• 蒸汽压: 1.2 mmHg ( 20 °C); 1.3 - 1.4 hPa at 20 °C; 1.6 mmHg ( 35 °C)
• 蒸汽密度: 5.07 (air = 1); 5.1 (vs air)
• 紫外吸收波长: λ: 296 nm Amax: 1.00; λ: 300 nm Amax: 0.30; λ: 305 nm Amax: 0.20; λ: 306 nm Amax: 0.20; λ: 335 nm Amax: 0.05; λ: 336 nm Amax: 0.05; λ: 375-400 nm Amax: 0.01; λ: 376-400 nm Amax: 0.01

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Toxic/Harmful/Irritant/Light Sensitive
• RTECS编号: CZ4500000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1230; 1591; 1993; UN1591
• 德国WGK号: 1; 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; 3; III
• 澳大利亚Hazchem: 2Z
• 危险公开号: 11-22-36-50/53-66-67; 11-23/24/25-39/23/24/25; 11-36-51/53-66-67; 22-36/37/38-50/53; 23/24/25-39/23/24/25-51/53; R:22-36/37/38-50/53
• 安全公开号: 16-26-61; 23-60-61; 36/37-45-61; 7-16-36/37-45; S:23-60-61
• 欧盟危险货物分类: T1
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 152
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• 摄入危害: Toxic if swallowed
• 吸入危害: Causes respiratory tract irritation
• 眼部危害: Causes eye irritation
• 皮肤危害: Causes skin irritation
• 爆炸极限: 9.2 %
• GHS危险声明: H225-H301-H311-H331-H370; H225-H319-H336-H410; H225-H319-H336-H411; H301-H311-H331-H370-H411; H302-H315-H319-H335-H410; H400-H410-H302-H315-H319-H335-H227
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P210-P261-P273-P305 + P351 + P338; P210-P261-P273-P305 + P351 + P338-P501; P210-P305+P351+P338-P302+P352-P321-P405-P501A; P260-P273-P280-P301 + P310-P311; P261-P273-P305 + P351 + P338-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1591 6.1/PG 3; UN 1993 3/PG 2
• 欧盟补充危害声明: Repeated exposure may cause skin dryness or cracking.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); ≥99% (GC); ≥99.0% (GC); 98%; 98% min; 99%
• 浓度: 1% in acetone-d6 (99.9 atom % D); 200 μg/mL in methanol; 5% in acetone-d6 (99.9 atom % D); 5000 μg/mL in methanol
• 级别: analytical standard; anhydrous; CHROMASOLV®; for extraction analysis; HPLC; NMR reference standard; PESTANAL®, analytical standard; puriss.; purum; Reag. Ph. Eur.; ReagentPlus®; spectrophotometric grade
• 包装: ampule of 1 mL; ampule of 5000 mg
• 燃烧残渣: ≤0.001% (as SO4)
• 蒸发残渣: <0.0003%; <0.0005%
• 杂质: <0.003% water; <0.005% water(100 mL pkg); <0.020% water; ≤0.0001% heavy metals (as Pb); ≤0.001% free acid (as HCl); ≤0.01% water (Karl Fischer)
• 痕量阳离子: Fe: ≤1 mg/kg
• 痕量阴离子: chloride (Cl-): ≤1 mg/kg
• 提纯方法: glass distillation
• NMR tube O.D. × L: 5 mm × 8 in.
• λ: H2O reference
• Empirical Formula (Hill Notation): C6H4Cl2

详细说明

MP Biomedicals - 05223074

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 612510

Features and Benefits
1H 的分辨率

Sigma Aldrich - 36707

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - D56802

包装
1 L in glass bottle
4 L in PVC coated
100 mL in glass bottle
20 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 240664

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 44580

法律信息
DOWTHERM 注册商标 The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 487147

Features and Benefits
1H 分辨率

Sigma Aldrich - 270598

包装
1, 2, 4×4 L in glass bottle
100 mL in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 242764

包装
1 L in glass bottle