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C.I.Reactive Blue 19

中文名称
——
中文别名
——
英文名称
C.I.Reactive Blue 19
英文别名
disodium;1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate
C.I.Reactive Blue 19化学式
CAS
——
化学式
C22H16N2Na2O11S3
mdl
——
分子量
626.5
InChiKey
KUIXZSYWBHSYCN-UHFFFAOYSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -5.05
  • 重原子数:
    40
  • 可旋转键数:
    6
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.09
  • 拓扑面积:
    255
  • 氢给体数:
    2
  • 氢受体数:
    13

ADMET

毒理性
  • 副作用
职业性肝毒素 - 第二性肝毒素:在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒病例。
Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
毒理性
  • 非人类毒性摘录
体外研究表明蒽醌染料是线粒体腺苷酸转位和氧化磷酸化的强效抑制剂。大多数染料以部分竞争性-非竞争性的方式抑制线粒体对(14)C腺苷二磷酸的摄取。
IN VITRO STUDY INDICATED ANTHRAQUINONE DYES TO BE POTENT INHIBITORS OF MITOCHONDRIAL ADENINE NUCLEOTIDE TRANSLOCATION & OXIDATIVE PHOSPHORYLATION. MOST OF THE DYES INHIBITED MITOCHONDRIAL (14)C ADENOSINE KDIPHOSPHATE UPTAKE IN A PARTIALLY COMPETITIVE-NONCOMPETITIVE MANNER.
来源:Hazardous Substances Data Bank (HSDB)

文献信息

  • [EN] DISSOLUTION OF CELLULOSE IN IONIC LIQUIDS<br/>[FR] DISSOLUTION DE CELLULOSE DANS DES LIQUIDES IONIQUES
    申请人:UNIV TEXAS TECH SYSTEM
    公开号:WO2019143802A1
    公开(公告)日:2019-07-25
    The present invention includes a method for dissolving cellulose comprising dissolving cellulose in an ionic liquid and a co-solvent, wherein the ionic liquid is an imidazolium-based ionic liquid with, e.g., a halide or acetate as the anion.
    该发明涉及一种溶解纤维素的方法,包括在一种离子液体和共溶剂中溶解纤维素,其中该离子液体是一种以咪唑为基础的离子液体,例如,卤化物或乙酸盐作为阴离子。
  • Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same
    申请人:——
    公开号:US20030185793A1
    公开(公告)日:2003-10-02
    The invention relates to transport molecule binding ligand compounds which comprise a therapeutically and/or diagnostically active substance and a carrier molecule-affine substance with a high association constant to the carrier molecule. The invention also relates to medicaments containing these ligand compounds and to diagnostic kits.
    这项发明涉及与载体分子结合的配体化合物,其包括具有治疗和/或诊断活性物质以及与载体分子具有高结合常数的载体分子亲和物质。该发明还涉及含有这些配体化合物的药物和诊断试剂盒。
  • Laundry Care Composition Comprising Carboxylate Dye
    申请人:Milliken & Company
    公开号:US20150080561A1
    公开(公告)日:2015-03-19
    The present invention relates to laundry care compositions comprising carboxylate dyes. The laundry care compositions can be laundry detergent compositions, laundry additive compositions such as fabric enhancer compositions or bleach additive compositions. Preferably, the laundry care composition is a laundry detergent composition. The composition can be a solid, such as a powder, tablet or bar, or a liquid. The composition can be in the form of a unit dose, such as pouch. Suitable unit dose pouches include single compartment and multi-compartment pouches.
    本发明涉及包含羧酸盐染料的洗涤护理组合物。洗涤护理组合物可以是洗涤剂组合物,洗涤添加剂组合物,如织物增良剂组合物或漂白剂添加剂组合物。最好,洗涤护理组合物是洗涤剂组合物。该组合物可以是固体,如粉末、片剂或条形,也可以是液体。该组合物可以是单剂形式,如袋装。适用的单剂袋包括单隔室和多隔室袋。
  • Laccase Variants
    申请人:Oestergaard Lars Henrik
    公开号:US20110091934A1
    公开(公告)日:2011-04-21
    The present invention relates to variants of a parent laccase. The present invention also relates to polynucleotides encoding the variant laccases and to nucleic acid constructs, vectors, and host cells comprising the polynucleotides, and methods of using the variant enzymes.
    本发明涉及一种母亲漆酶的变种。本发明还涉及编码变种漆酶的多核苷酸,以及包含这些多核苷酸的核酸构建物、载体和宿主细胞,以及使用这些变种酶的方法。
  • [EN] LAUNDRY CARE COMPOSITION COMPRISING CARBOXYLATE DYE<br/>[FR] COMPOSITION D'ENTRETIEN DU LINGE COMPRENANT UN COLORANT CARBOXYLATE
    申请人:PROCTER & GAMBLE
    公开号:WO2015041814A1
    公开(公告)日:2015-03-26
    The present invention relates to a laundry care composition comprising from 0.00001 wt% to 0.5 wt% thiophene azo carboxylate dye having the structure of Formula I: (Formula I), wherein D1 is a thiophene group; wherein D2 is a carbocylic phenylene; wherein the two N atoms shown in Formula I bound directly to the carbocyclic phenylene are in a para-substitution to one another; wherein R1 is independently selected from [(CH2CR'HO)x(CH2CR"HO)y((CH2)wNH)zQ], C1-12 alkyl, C6-10 aryl, or C7-C22 aryl alkyl; wherein R2 is [(CH2CR'HO)x'(CH2CR"HO)y'((CH2)w'NH)z'Q]; wherein the sum of x + y + x' + y' is in the range of from 0 to 50; wherein x is an integer from 0 to 50; wherein x' is an integer from 0 to 50; wherein y is an integer from 0 to 50; wherein y' is an integer from 0 to 50; wherein w and w' are integers independently selected from 2 and 3; wherein z and z' are integers independently selected from 0 and 1; wherein R' and R" are each independently selected from the group consisting of H, C1-C4 alkyl, CH2O(CH2CH2O)a((CH2)bNH)dQ, phenyl and CH2OR5; wherein each R5 is independently selected from the group consisting of C1-C16 linear or branched alkyl, C6-C14 aryl, and C7-C16 arylalkyl; wherein each a is an integer independently selected from 0 to 2; wherein each b is an integer independently selected from 2 to 3; wherein each d is an integer independently selected from 0 to 1; wherein each Q is independently selected from the group consisting of H and Y, preferably all Q groups are independently selected Y groups; wherein each Y is an independently selected organic radical represented by Formula II (Formula II), wherein independently for each Y group: M is H or a charge balancing cation; m is an integer selected from 0 to 5, preferably 0, 1, 2 or 3, more preferably 0 or 1; n is an integer selected from 0 to 5, preferably 0, 1, 2 or 3, more preferably 0 or 1; the sum of m + n is in the range of from 1 to 10, preferably 1, 2 or 3, more preferably 1 or 2; and each R8 is independently selected from the group consisting of H, C3-18 or C4-C18 linear or branched alkyl, and C3-18 or C4-C18 linear or branched alkenyl; at least one R8 group is not H; wherein the sum of z + z' + d is at least 1; characterized in that the dye comprises at least one Q group that is Y and is either: (a) bound to a N atom in an R1 group wherein the index z is 1; or (b) bound to a N atom in an R2 group wherein the index z' is 1; or (c) bound to a N atom in an R' or R" group wherein the index d is 1.
    本发明涉及一种洗涤护理组合物,其中含有从0.00001重量%到0.5重量%的噻吩偶氮羧酸酯染料,其具有以下结构的公式I:(公式I),其中D1是一个噻吩基团;其中D2是一个碳环苯基;在公式I中所示的两个N原子直接与碳环苯基结合,彼此之间处于对位取代;其中R1独立地选自[(CH2CR'HO)x(CH2CR"HO)y((CH2)wNH)zQ]、C1-12烷基、C6-10芳基或C7-C22芳基烷基;其中R2是[(CH2CR'HO)x'(CH2CR"HO)y'((CH2)w'NH)z'Q];其中x + y + x' + y'的总和在0至50的范围内;其中x是从0到50的整数;其中x'是从0到50的整数;其中y是从0到50的整数;其中y'是从0到50的整数;其中w和w'是独立选择的整数,取自2和3;其中z和z'是独立选择的整数,取自0和1;其中R'和R"各自独立地选自H、C1-C4烷基、CH2O(CH2CH2O)a((CH2)bNH)dQ、苯基和CH2OR5的群;其中每个R5独立地选自C1-C16直链或支链烷基、C6-C14芳基和C7-C16芳基烷基的群;其中每个a是独立选择的整数,取自0到2;其中每个b是独立选择的整数,取自2到3;其中每个d是独立选择的整数,取自0到1;其中每个Q是独立选择的,取自H和Y的群,最好所有Q群都是独立选择的Y群;其中每个Y是由公式II代表的独立选择的有机基团(公式II),对于每个Y群:M是H或一个电荷平衡阳离子;m是从0到5中选择的整数,最好为0、1、2或3,更好地为0或1;n是从0到5中选择的整数,最好为0、1、2或3,更好地为0或1;m + n的总和在1到10的范围内,最好为1、2或3,更好地为1或2;每个R8独立地选自H、C3-18或C4-C18直链或支链烷基,以及C3-18或C4-C18直链或支链烯基;至少一个R8群不是H;其中z + z' + d的总和至少为1;其特征在于染料包含至少一个Q群,该Q群是Y并且是以下情况之一:(a)与R1群中的N原子结合,其中指数z为1;或(b)与R2群中的N原子结合,其中指数z'为1;或(c)与R'或R"群中的N原子结合,其中指数d为1。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

齐斯托醌 黄决明素 马普替林杂质E(N-甲基马普替林) 马普替林杂质D 马普替林 颜料黄199 颜料黄147 颜料黄123 颜料黄108 颜料红89 颜料红85 颜料红251 颜料红177 颜料紫27 顺式-1-(9-蒽基)-2-硝基乙烯 阿美蒽醌 阳离子蓝3RL 长蠕孢素 镁蒽四氢呋喃络合物 镁蒽 锈色洋地黄醌醇 锂钠2-[[4-[[3-[(4-氨基-9,10-二氧代-3-磺基-1-蒽基)氨基]-2,2-二甲基-丙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]苯-1,4-二磺酸酯 锂胭脂红 链蠕孢素 铷离子载体I 铝洋红 铂(2+)二氯化1-({2-[(2-氨基乙基)氨基]乙基}氨基)蒽-9,10-二酮(1:1) 钾6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯 钠6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯 钠4-({4-[乙酰基(乙基)氨基]苯基}氨基)-1-氨基-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠2-[(4-氨基-9,10-二氧代-3-磺基-9,10-二氢-1-蒽基)氨基]-4-{[2-(磺基氧基)乙基]磺酰基}苯甲酸酯 钠1-氨基-9,10-二氢-4-[[4-(1,1-二甲基乙基)-2-甲基苯基]氨基]-9,10-二氧代蒽-2-磺酸盐 钠1-氨基-4-[(3-{[(4-甲基苯基)磺酰基]氨基}苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠1-氨基-4-[(3,4-二甲基苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠1-氨基-4-(1,3-苯并噻唑-2-基硫基)-9,10-二氧代蒽-2-磺酸盐 醌茜隐色体 醌茜素 酸性蓝127:1 酸性紫48 酸性紫43 酸性兰62 酸性兰25 酸性兰182 酸性兰140 酸性兰138 酸性兰 129 透明蓝R 透明蓝AP 透明红FBL 透明紫BS