CAS号是公开的化学物质信息的最权威的集合。CAS号涵盖从1957年至今的科学文献中确定的物质,其他物质可追溯到20世纪初。它也称CAS编号(CAS Registry Number,或称CAS Number,CAS Rn,CAS #),又称CAS登录号或CAS登记号码,是某种物质(化合物、高分子材料、生物序列(Biological sequences)、混合物或合金)的唯一的数字识别号码。美国化学会的下设组织化学文摘社(Chemical Abstracts Service,简称CAS)负责为每一种出现在文献中的物质分配一个CAS编号,其目的是为了避免化学物质有多种名称的麻烦,使数据库的检索更为方便。如今几乎所有的化学数据库都允许用CAS编号检索。
名称 |
英文名 |
物理化学性质 |
CAS号 |
分子式 |
5-Bromo-4-chloro-6-(1-pyrrolidinyl)pyrimidine |
5-Bromo-4-chloro-6-(1-pyrrolidinyl)pyrimidine |
分子量:262.534 密度:1.7±0.1 g/cm3 沸点:380.8±42.0 °C at 760 mmHg 熔点:N/A |
1289216-16-5 |
C8H9BrClN3 |
1-[3-(3-Bromophenoxy)propyl]-4-piperidinol |
1-[3-(3-Bromophenoxy)propyl]-4-piperidinol |
分子量:314.218 密度:1.3±0.1 g/cm3 沸点:431.9±35.0 °C at 760 mmHg 熔点:N/A |
1182128-24-0 |
C14H20BrNO2 |
(3aS,6aS)-1-甲基六氢吡咯并[3,4-b]吡咯 |
(3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole |
分子量:126.19900 密度:N/A 沸点:N/A 熔点:N/A |
1312756-38-9 |
C7H14N2 |
1-[3-(4-Bromophenoxy)propyl]pyrrolidine |
1-[3-(4-Bromophenoxy)propyl]pyrrolidine |
分子量:284.192 密度:1.3±0.1 g/cm3 沸点:367.7±22.0 °C at 760 mmHg 熔点:N/A |
92104-90-0 |
C13H18BrNO |
3-Bromo-4-(1-pyrrolidinyl)benzaldehyde |
3-Bromo-4-(1-pyrrolidinyl)benzaldehyde |
分子量:254.123 密度:1.5±0.1 g/cm3 沸点:372.6±32.0 °C at 760 mmHg 熔点:N/A |
869952-70-5 |
C11H12BrNO |
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]pyrrolidine |
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]pyrrolidine |
分子量:320.203 密度:1.5±0.1 g/cm3 沸点:422.4±55.0 °C at 760 mmHg 熔点:N/A |
332354-62-8 |
C11H14BrNO3S |
1-[2-(4-Bromophenoxy)ethyl]-4-ethylpiperazine |
1-[2-(4-Bromophenoxy)ethyl]-4-ethylpiperazine |
分子量:313.233 密度:1.3±0.1 g/cm3 沸点:388.4±32.0 °C at 760 mmHg 熔点:N/A |
1293203-47-0 |
C14H21BrN2O |
2-Chloro-3-iodo-6-methoxy-pyridine |
2-Chloro-3-iodo-6-methoxypyridine |
分子量:269.467 密度:1.9±0.1 g/cm3 沸点:278.6±40.0 °C at 760 mmHg 熔点:N/A |
1227580-90-6 |
C6H5ClINO |
(2-((二甲氨基)甲基)-5-氟苯基)硼酸 |
(2-((dimethylamino)Methyl)-5-fluorophenyl)boronic acid |
分子量:197.014 密度:1.2±0.1 g/cm3 沸点:314.3±52.0 °C at 760 mmHg 熔点:N/A |
1292755-46-4 |
C9H13BFNO2 |
德罗特韦中间体 |
Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate |
分子量:319.309 密度:1.4±0.1 g/cm3 沸点:542.7±50.0 °C at 760 mmHg 熔点:N/A |
1206102-08-0 |
C16H17NO6 |
1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine |
1-[3-(4-Bromophenoxy)propyl]-4-methylpiperidine |
分子量:312.245 密度:1.2±0.1 g/cm3 沸点:389.9±22.0 °C at 760 mmHg 熔点:N/A |
401805-14-9 |
C15H22BrNO |
1-[(3-Bromophenyl)sulfonyl]-4-piperidinone |
1-[(3-Bromophenyl)sulfonyl]-4-piperidinone |
分子量:318.187 密度:1.6±0.1 g/cm3 沸点:460.7±55.0 °C at 760 mmHg 熔点:N/A |
1152584-50-3 |
C11H12BrNO3S |
(3-乙氧基-4-甲基)苯硼酸 |
(3-Ethoxy-4-methylphenyl)boronic acid |
分子量:180.009 密度:1.1±0.1 g/cm3 沸点:330.2±52.0 °C at 760 mmHg 熔点:N/A |
1451391-68-6 |
C9H13BO3 |
2-(2,5-二甲基-1H-吡咯-1-基)-5-硼酸频哪醇酯吡啶 |
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
分子量:298.188 密度:1.1±0.1 g/cm3 沸点:426.2±45.0 °C at 760 mmHg 熔点:N/A |
885226-07-3 |
C17H23BN2O2 |
Boronic acid, B-[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]- |
Boronic acid, B-[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]phenyl]- |
分子量:281.071 密度:1.4±0.1 g/cm3 沸点:528.0±60.0 °C at 760 mmHg 熔点:N/A |
935701-06-7 |
C15H12BNO4 |
(4R,12aS)-3,4,12,12a-四氢-4-甲基-7-(苯基甲氧基)-2H-吡啶并[1',2':4,5]吡嗪并[2,1-b][1,3]恶嗪-6,8-二酮 |
(4R,12aS)-3,4,12,12a-Tetrahydro-4-methyl-7-(phenylmethoxy)-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-6,8-dione |
分子量:340.373 密度:1.3±0.1 g/cm3 沸点:577.2±50.0 °C at 760 mmHg 熔点:N/A |
1206102-09-1 |
C19H20N2O4 |
Umirolimus |
Umirolimus |
分子量:986.278 密度:1.2±0.1 g/cm3 沸点:991.0±75.0 °C at 760 mmHg 熔点:N/A |
851536-75-9 |
C55H87NO14 |
1-(3-Bromo-5-fluorophenyl)-4-methylpiperazine |
1-(3-Bromo-5-fluorophenyl)-4-methylpiperazine |
分子量:273.145 密度:1.4±0.1 g/cm3 沸点:339.3±42.0 °C at 760 mmHg 熔点:N/A |
1481628-12-9 |
C11H14BrFN2 |
3-溴-2-(4-甲基哌啶-1-基)吡啶 |
3-Bromo-2-(4-methyl-1-piperidinyl)pyridine |
分子量:255.154 密度:1.3±0.1 g/cm3 沸点:324.3±27.0 °C at 760 mmHg 熔点:N/A |
1249588-15-5 |
C11H15BrN2 |
(E)-(4-(1-(肟基)乙基)苯基)硼酸 |
(E)-(4-(1-(hydroxyimino)ethyl)phenyl)boronic acid |
分子量:178.981 密度:1.2±0.1 g/cm3 沸点:386.2±44.0 °C at 760 mmHg 熔点:N/A |
1308264-92-7 |
C8H10BNO3 |
(R)-4-苄基-3-吗啉甲酸甲酯 |
(R)-Methyl 4-benzylmorpholine-3-carboxylate |
分子量:235.27900 密度:N/A 沸点:N/A 熔点:N/A |
1235134-83-4 |
C13H17NO3 |
6-Chloro-3-iodo-2-pyridinol |
6-Chloro-3-iodo-2-pyridinol |
分子量:255.441 密度:2.2±0.1 g/cm3 沸点:309.1±37.0 °C at 760 mmHg 熔点:N/A |
1224719-11-2 |
C5H3ClINO |
德罗格韦中间体-1 |
Dolutegravir intermediate-1 |
分子量:315.276 密度:1.4±0.1 g/cm3 沸点:474.1±45.0 °C at 760 mmHg 熔点:N/A |
1335210-23-5 |
C13H17NO8 |
1-Ethyl-4-[(4-fluorophenyl)sulfonyl]piperazine |
1-Ethyl-4-[(4-fluorophenyl)sulfonyl]piperazine |
分子量:272.339 密度:1.3±0.1 g/cm3 沸点:373.6±52.0 °C at 760 mmHg 熔点:N/A |
385404-07-9 |
C12H17FN2O2S |
(3-(2-(4-甲基哌嗪-1-基)乙氧基)苯基)硼酸 |
(3-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)boronic acid |
分子量:264.128 密度:1.2±0.1 g/cm3 沸点:446.3±55.0 °C at 760 mmHg 熔点:N/A |
1170697-43-4 |
C13H21BN2O3 |
(4-((4-(三氟甲氧基)苯基)氨基甲酰)苯基)硼酸 |
(4-((4-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid |
分子量:325.048 密度:1.4±0.1 g/cm3 沸点:N/A 熔点:N/A |
913198-23-9 |
C14H11BF3NO4 |
亚磷酸氢二铵 |
diammonium phosphonate |
分子量:99.02630 密度:N/A 沸点:N/A 熔点:N/A |
22132-71-4 |
H6NO3P |
Benzene, 4-bromo-2-chloro-1-[(2-methoxyethoxy)methyl]- |
Benzene, 4-bromo-2-chloro-1-[(2-methoxyethoxy)methyl]- |
分子量:279.558 密度:1.4±0.1 g/cm3 沸点:306.8±32.0 °C at 760 mmHg 熔点:N/A |
1598037-01-4 |
C10H12BrClO2 |
O-[2-(乙酰氨基)-2-脱氧-Α-D-半乳糖苷]-L-丝氨酸 |
Tn Epitope |
分子量:308.28500 密度:1.517g/cm3 沸点:701.205ºC at 760 mmHg 熔点:320.93°C(lit.) |
67262-86-6 |
C11H20N2O8 |
葡庚糖酸內酯 |
D-Glucoheptono-1,4-lactone |
分子量:208.16600 密度:1.806g/cm3 沸点:557.5ºC at 760 mmHg 熔点:152-155ºC(lit.) |
60046-25-5 |
C7H12O7 |
软骨素二糖 δdi-0S 钠盐 |
Chondroitin disaccharide Δdi-0S sodium salt |
分子量:401.29800 密度:N/A 沸点:N/A 熔点:N/A |
136132-69-9 |
C14H20NNaO11 |
3-岩藻糖基乳糖 |
3-Fucosyllactose |
分子量:488.43800 密度:1.73g/cm3 沸点:803.2ºC at 760 mmHg 熔点:>165°C (dec.) (lit.) |
41312-47-4 |
C18H32O15 |
唾液酸化酶X |
Sialyl-Lewis X |
分子量:820.74400 密度:1.66g/cm3 沸点:1285.8ºC at 760mmHg 熔点:N/A |
98603-84-0 |
C31H52N2O23 |
2-乙酰氨基-2-脱氧-3-O-(2-O-硫代-β-D-葡萄-4-烯吡喃糖基糖酮酸)-D-半乳糖 |
2-(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid,sodium |
分子量:503.34400 密度:N/A 沸点:N/A 熔点:N/A |
149368-04-7 |
C14H19NNa2O14S |
二唾液酸乳-N-四糖 |
Disialyllacto-N-tetraose |
分子量:1290.14 密度:N/A 沸点:1679.6ºC at 760 mmHg 熔点:N/A |
61278-38-4 |
C48H79N3O37 |
氯乳酸 |
β-Chlorolactic acid |
分子量:124.52300 密度:1.519g/cm3 沸点:259.5ºC at 760mmHg 熔点:77 °C (lit.) |
1713-85-5 |
C3H5ClO3 |
1,4-脱水-D-葡萄糖醇 |
1,4-anhydro-d-glucitol |
分子量:164.15600 密度:N/A 沸点:N/A 熔点:112-113ºC |
100402-56-0 |
C6H12O5 |
2 3 4 6-四-O-乙酰-BETA-吡喃葡萄糖 |
TAGIT |
分子量:389.378 密度:1.4±0.1 g/cm3 沸点:469.7±45.0 °C at 760 mmHg 熔点:114-116 °C(lit.) |
14152-97-7 |
C15H19NO9S |
N-乙酰氨基葡萄糖-3-硫酸钠 |
glcnac-3s, na |
分子量:323.25300 密度:N/A 沸点:N/A 熔点:N/A |
108347-95-1 |
C8H14NNaO9S |
α-Fuc-(1→2)-β-Gal-(1→4)(α-Fuc-[1→3])-β-GlcNAc-(1→3)-β-Gal-(1→4)-Glc |
ALPHA-FUC-[1->2]-BETA-GAL-[1->4][ALPHA-FUC-(1->3)]-BETA-GLCNAC-[1->3]-BETA-GAL-[1->4]-GLC |
分子量:999.91 密度:N/A 沸点:N/A 熔点:N/A |
62469-99-2 |
C38H65NO29 |
N,N',N,N''',N'''',N'''''-六乙酰壳六糖 |
Hexa-N-acetylchitohexaose |
分子量:1237.17000 密度:1.6g/cm3 沸点:1652.6ºC at 760mmHg 熔点:>250°C (dec.) |
38854-46-5 |
C48H80N6O31 |
α-D-Gal-(1→3)-(α-L-Fuc-[1→2])-D-Gal |
blood group b trisaccharide |
分子量:488.43800 密度:N/A 沸点:N/A 熔点:N/A |
49777-14-2 |
C18H32O15 |
D-氨基葡萄糖-3,6-二硫酸钠 |
(2-amino-4,5-dihydroxy-1-oxo-6-sulfooxyhexan-3-yl) hydrogen sulfate,sodium |
分子量:383.26100 密度:N/A 沸点:N/A 熔点:N/A |
157297-01-3 |
C6H11NNa2O11S2 |
乳-N-岩藻戊糖 II |
Lacto-N-Fucopentaose II |
分子量:853.77100 密度:1.71g/cm3 沸点:1264.6ºC at 760mmHg 熔点:N/A |
21973-23-9 |
C32H55NO25 |
软骨素二糖δ二-6S钠盐 |
Chondroitin disaccharide δdi-6S sodium salt |
分子量:503.34400 密度:N/A 沸点:N/A 熔点:N/A |
136132-72-4 |
C14H19NNa2O14S |
乳糖-N-四糖 |
Lacto-N-tetraose |
分子量:707.63000 密度:1.76g/cm3 沸点:1116.1ºC at 760 mmHg 熔点:N/A |
14116-68-8 |
C26H45NO21 |
6-氟吲哚化合物二聚体 |
acetic acid 5-[3'-(4-acetoxypyrrolidin-2-ylmethyl)-6,6’-difluoro-1H,1'H-[2,2']biindolyl-3-ylmethyl]pyrrolidin-3-yl ester |
分子量:550.596 密度:1.4±0.1 g/cm3 沸点:745.8±60.0 °C at 760 mmHg 熔点:N/A |
1260251-26-0 |
C30H32F2N4O4 |
2-氰基异烟酰肼 |
4-Pyridinecarboxylicacid,2-cyano-,hydrazide(9CI) |
分子量:162.14900 密度:N/A 沸点:N/A 熔点:N/A |
135048-32-7 |
C7H6N4O |
(Z)-7-[(1R,2R,3R,5S)-2-(4,4-二氟-3-羟辛基)-5-羟基 |
(Z)-7-((1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoic acid |
分子量:476.59400 密度:N/A 沸点:N/A 熔点:N/A |
136790-75-5 |
C25H42F2O6 |
甲基2-羟基-3-苯丙酸酯 |
Methyl 2-hydroxy-3-phenylpropanoate |
分子量:180.201 密度:1.1±0.1 g/cm3 沸点:286.1±20.0 °C at 760 mmHg 熔点:N/A |
13674-16-3 |
C10H12O3 |