C.I.颜料黄13

C.I.颜料黄13 基本信息
CAS号 5102-83-0 分子式 C36H34Cl2N6O4
分子量 685.61222 精确质量  684.20186
PSA  141.78000 LogP  9.40000

基本信息 展开↓

CAS号:
5102-83-0
分子式:
C36H34Cl2N6O4
分子量:
685.61222
中文名称:
C.I.颜料黄13
英文名称:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-
中文别名:
C.I.颜料黄13;
1140永固黄GR;
2,2'-(3,3'-二氯-1,1'-联苯-4,4'-双偶氮)双[N-(2,4-二甲基苯基)-3-氧代-丁酰胺];
C. I. 颜料黄13;
永固黄 GR;
颜料黄 13;
联苯胺黄;
联苯胺黄G;
1138或1003联苯胺黄
英文别名:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-;
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo- (9CI);
C.I. Pigment Yellow 13 (7CI,8CI);
2,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide];
2,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide;
Benzidine Yellow 13;
Benzidine Yellow 20544;
Benzidine Yellow GE;
Benzidine Yellow GR;
Benzidine Yellow Lemon 12221;
C.I. 21100;
Cromophtal Yellow HG;
Dainichi Benzidine Yellow 2GR;
Diarylide Yellow;
Disazo Yellow;
Discoall K 6820;
Elkon Fast Yellow GR;
Flexiverse Yellow YFD 1303;
Graphtol Yellow RGS;
Helio Fast Yellow GRF;
Helio Fast Yellow GRN;
Hostafine Yellow GR;
Hostaperm Yellow GR;
Irgalite Yellow B 3L;
Irgalite Yellow BAW;
Irgalite Yellow BAWX;
Irgalite Yellow BGW;
Irgalite Yellow BKW;
Irgalite Yellow LBG;
Irgalite Yellow LBIW;
Irgaplast Yellow IRS;
Isol Benzidene Yellow GRX 2548;
Isol Benzidine Fast Yellow GRX;
Isol Benzidine Fast Yellow GRX spec;
Isol Diaryl Yellow GRF;
KET Yellow 405;
Keystone Jet Print Micro Yellow;
Kromon Yellow GXR;
Latexol Fast Yellow JR;
Light Yellow JBR;
Lionol Yellow 1314;
Lionol Yellow FG 1310;
Lionol Yellow SGR;
Microlith Yellow BAW-WA;
Monolite Fast Yellow GLV;
Monolite Yellow GL;
Monolite Yellow GLA;
NSC 5336;
PY 13;
Permanent Yellow 1148;
Permanent Yellow GR;
Permanent Yellow GR 01;
Pigment Yellow 13;
Pigment Yellow ECY 210;
Pigment Yellow MH;
Polymo Yellow GR;
Recolite Fast Yellow BLF;
Recolite Fast Yellow BLT;
Rubber Fast Yellow GRA;
Sanyo Light Fast Benzidine Yellow R;
Saranac Yellow X 2838;
Segnale Light Yellow GRX;
Seikafast Yellow 2600;
Sico Fast Yellow D 1351;
Sico Fast Yellow D 1355;
Sunbright Yellow 13;
Sunbrite Yellow 13;
Sunbrite Yellow 13-275-0049;
Sunbrite Yellow 13-275-0536;
Sunbrite Yellow 275-0536;
Symuler Fast Yellow 4306;
Symuler Fast Yellow GRF;
Symuler Fast Yellow GRTF;
Tertropigment Fast Yellow VGR;
Tertropigment PGR;
Unisperse Yellow BAW-PI;
Unisperse Yellow BP-I;
Vibracolor Yellow PYE 13L;
Vulcan Fast Yellow GR;
Vulcan Fast Yellow GRA;
Vulcan Fast Yellow GRN;
Vynamon Yellow GRE;
Vynamon Yellow GRES;
Yellow BAW;
Yellow ECY 210;
Yellow Toner YB 5;
ZAY 452
精确分子量/精确质量:
684.20186
极性分子表面积/PSA:
141.78000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
225-822-9
InChI:
InChI=1/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,41-42H,1-6H3,(H,39,47)(H,40,48)/b43-33+,44-34+

生产制备方法及用途展开↓

制备方法


将3,3'-二氯联苯胺(DCB)低温下与盐酸、水一起打浆,降温到0-5℃下,快速加入亚硝酸钠水溶液,进行重氮化反应,活性炭脱色,过滤;重氮盐与酸析后的2,4-二甲基乙酰基乙酰苯胺(AAMX)乳化液,在pH=6下偶合,反应完全后,加热至90℃,过滤,洗涤,干燥。

用途简介


该品种剂型牌号有135种。比颜料黄12耐溶剂抗结晶性好,耐迁移性优良,符合印墨色调,欧洲更多采用该品种的改性剂型品种(颜料黄127;颜料黄176)。相同比表面积、粒径下,强度要高25%;球磨不易发生重结晶,同等深度耐光牢度比颜料黄12高1-2级;剂型有高透明、半透明及高非透明型(Irgalite黄BKW比表面积为10m2/g)。大量用于包装印墨,耐上光漆及灭菌处理;用于塑料着色,软质PVC中耐迁移性好,耐光牢度(1/3SD)6-7级,由于颜料热裂解作用,在HDPE中限于200℃以下用,仅0.12%浓度即可达到1/3SD;用于聚氨酯泡沫塑料着色。

物化性质展开↓

外观与性状:
无气味的细黄色粉末
密度:
1.29
熔点:
340 - 350ºC
沸点:
799.5ºC at 760mmHg
闪点:
437.3ºC
折射率:
1.631

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EJ3512000
CHEMICAL NAME :
Butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(azo ))bis(N-(2,4- dimethylphenyl)-3-oxo-
CAS REGISTRY NUMBER :
5102-83-0
LAST UPDATED :
199801
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C36-H34-Cl2-N6-O4
MOLECULAR WEIGHT :
685.66

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555058 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0690-0962 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
410 mg/m3/6H/21D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Lungs, Thorax, or Respiration - changes in lung weight
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555034 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0914 No. of Facilities: 1273 (estimated) No. of Industries: 30 No. of Occupations: 30 No. of Employees: 18252 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0914 No. of Facilities: 426 (estimated) No. of Industries: 13 No. of Occupations: 18 No. of Employees: 10055 (estimated) No. of Female Employees: 962 (estimated)

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):9.5

2.氢键供体数量:2

3.氢键受体数量:8

4.可旋转化学键数量:11

5.互变异构体数量:435

6.拓扑分子极性表面积:142

7.重原子数量:48

8.表面电荷:0

9.复杂度:1110

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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