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 |
辛二酸钙盐 |
Octanedioic acid calcium salt (1:1) |
分子量:212.25600 密度:N/A 沸点:N/A 熔点:N/A |
27796-71-0 |
C8H12CaO4 |
头孢地尼杂质B |
(6R-trans)-7-[[(2-Amino-4-thiazolyl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid |
分子量:366.41500 密度:N/A 沸点:N/A 熔点:N/A |
79350-10-0 |
C14H14N4O4S2 |
1,4-二氢-2,6-二甲基-4-(3-氨基苯基)-5-(2-甲氧基乙氧羰基)-3-甲酸异丙酯 |
Isopropyl 4-(3-Aminophenyl)-1,4-dihydro-5-(2-methoxyethoxycarbonyl)-2,6-dimethylpyridine-3-carboxylate |
分子量:388.45700 密度:N/A 沸点:N/A 熔点:N/A |
155861-24-8 |
C21H28N2O5 |
2-羟基-5-硝基吡啶 N-氧化物 |
5-nitro-2-hydroxypyridine-N-oxide |
分子量:156.09600 密度:N/A 沸点:N/A 熔点:N/A |
14396-03-3 |
C5H4N2O4 |
N-[(S)-(4-硝基苯氧基)苯氧基磷酰基]-L-丙氨酸异丙酯 |
L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester |
分子量:408.34200 密度:N/A 沸点:N/A 熔点:N/A |
1256490-31-9 |
C18H21N2O7P |
2-乙酰基-6-溴萘 |
2-Acetyl-6-bromonaphthalene |
分子量:249.10300 密度:N/A 沸点:357.1±15.0°C at 760 mmHg 熔点:N/A |
1590-25-6 |
C12H9BrO |
2-甲胺基-4-氨基嘧啶 |
N-(4-Aminopyrimidin-2-yl)-N-methylamine |
分子量:124.14400 密度:N/A 沸点:N/A 熔点:N/A |
22404-42-8 |
C5H8N4 |
白头翁皂苷 D |
Pulsatilla saponin D |
分子量:913.096 密度:1.4±0.1 g/cm3 沸点:997.6±65.0 °C at 760 mmHg 熔点:N/A |
68027-15-6 |
C47H76O17 |
4-甲基苯氧基丙腈 |
4-METHYLPHENOXYPROPIONITRILE |
分子量:161.20000 密度:N/A 沸点:N/A 熔点:44-48 °C(lit.) |
25268-01-3 |
C10H11NO |
红霉素C |
erythromycin C |
分子量:719.90 密度:1.2±0.1 g/cm3 沸点:826.2±65.0 °C at 760 mmHg 熔点:N/A |
1675-02-1 |
C36H65NO13 |
(R)-1-Boc-2-氯甲基-吡咯烷 |
(R)-1-BOC-2-CHLOROMETHYL-PYRROLIDINE |
分子量:219.708 密度:1.1±0.1 g/cm3 沸点:284.3±13.0 °C at 760 mmHg 熔点:N/A |
210963-90-9 |
C10H18ClNO2 |
(1S,3AR,6AS)-八氢环戊二烯并[C]吡咯-1-羧酸 |
(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid |
分子量:155.19400 密度:N/A 沸点:N/A 熔点:N/A |
926276-11-1 |
C8H13NO2 |
N-芴甲氧羰基-(S)-2-氨基-6-庚烯酸 |
(S)-N-Fmoc-2-(4'-pentenyl)glycine |
分子量:365.422 密度:1.2±0.1 g/cm3 沸点:589.7±45.0 °C at 760 mmHg 熔点:N/A |
856412-22-1 |
C22H23NO4 |
1-氨基-2-茚醇 |
Trans-1-Amino-2-hydroxyindane |
分子量:149.19000 密度:N/A 沸点:N/A 熔点:N/A |
74165-73-4 |
C9H11NO |
6-O-(叔丁基二苯基甲硅烷基)-D-葡萄糖 |
6-O-(TERT-BUTYLDIPHENYLSILYL)-D-GLUCAL |
分子量:384.54100 密度:N/A 沸点:N/A 熔点:N/A |
87316-22-1 |
C22H28O4Si |
1-甲脒-4-甲酸哌啶 |
1-Carbamimidoylpiperidine-4-carboxylic acid |
分子量:171.197 密度:1.5±0.1 g/cm3 沸点:341.6±52.0 °C at 760 mmHg 熔点:N/A |
135322-16-6 |
C7H13N3O2 |
N1-(3-溴-5-(三氟甲基)苯基)-N2,N2-二甲基乙烷-1,2-二胺 |
1,2-Ethanediamine, N2-[3-bromo-5-(trifluoromethyl)phenyl]-N1,N1-dimethyl |
分子量:311.142 密度:1.4±0.1 g/cm3 沸点:315.7±42.0 °C at 760 mmHg 熔点:N/A |
1480680-65-6 |
C11H14BrF3N2 |
2-Butyldecanoic acid |
2-Butyldecanoic acid |
分子量:228.371 密度:0.9±0.1 g/cm3 沸点:339.6±10.0 °C at 760 mmHg 熔点:N/A |
52304-09-3 |
C14H28O2 |
2-氨基-5-(4-吗啉基)苯甲酸 |
2-Amino-5-morpholinobenzoic Acid |
分子量:222.24000 密度:N/A 沸点:N/A 熔点:N/A |
153437-52-6 |
C11H14N2O3 |
1-Piperazineethanol, 4-[(3-bromophenyl)sulfonyl]- |
1-Piperazineethanol, 4-[(3-bromophenyl)sulfonyl]- |
分子量:349.244 密度:1.5±0.1 g/cm3 沸点:490.1±55.0 °C at 760 mmHg 熔点:N/A |
1007209-71-3 |
C12H17BrN2O3S |
2-(1H-吲唑-6-基硫代)-N-甲基苯甲酰胺 |
2-(1H-indazol-6-ylthio)-N-methyl- Benzamide |
分子量:283.348 密度:1.4±0.1 g/cm3 沸点:555.7±30.0 °C at 760 mmHg 熔点:N/A |
944835-85-2 |
C15H13N3OS |
3-(6-甲基吡啶-2-氧基)丙烷-1-醇 |
3-[(6-Methyl-2-pyridinyl)oxy]-1-propanol |
分子量:167.205 密度:1.1±0.1 g/cm3 沸点:266.3±25.0 °C at 760 mmHg 熔点:N/A |
401811-95-8 |
C9H13NO2 |
1-(3-Bromo-5-fluorobenzyl)-4-piperidinol |
1-(3-Bromo-5-fluorobenzyl)-4-piperidinol |
分子量:288.156 密度:1.5±0.1 g/cm3 沸点:368.5±37.0 °C at 760 mmHg 熔点:N/A |
1514878-90-0 |
C12H15BrFNO |
1-(4-(4-bromophenoxy)butyl)-4-Methylpiperazine |
1-(4-(4-bromophenoxy)butyl)-4-Methylpiperazine |
分子量:313.23300 密度:N/A 沸点:N/A 熔点:N/A |
93699-37-7 |
C14H21BrN2O |
N-(2-Bromo-4-fluorobenzyl)cyclopropanamine |
N-(2-Bromo-4-fluorobenzyl)cyclopropanamine |
分子量:244.103 密度:1.5±0.1 g/cm3 沸点:288.6±25.0 °C at 760 mmHg 熔点:N/A |
1016706-75-4 |
C10H11BrFN |
依托考昔杂质27 |
Etoricoxib Impurity 27 |
分子量:169.052 密度:N/A 沸点:N/A 熔点:N/A |
1352804-27-3 |
C5H10Cl2N2 |
1,3-Dibromo-5-chloro-2-methoxybenzene |
1,3-Dibromo-5-chloro-2-methoxybenzene |
分子量:300.375 密度:1.9±0.1 g/cm3 沸点:283.7±35.0 °C at 760 mmHg 熔点:N/A |
174913-44-1 |
C7H5Br2ClO |
1-(3-Bromo-5-fluorophenyl)-4-piperidinol |
1-(3-Bromo-5-fluorophenyl)-4-piperidinol |
分子量:274.129 密度:1.5±0.1 g/cm3 沸点:386.6±42.0 °C at 760 mmHg 熔点:N/A |
1129541-98-5 |
C11H13BrFNO |
1,2-Ethanediamine, N2-[2-bromo-4-(trifluoromethyl)phenyl]-N1,N1-dimethyl- |
1,2-Ethanediamine, N2-[2-bromo-4-(trifluoromethyl)phenyl]-N1,N1-dimethyl- |
分子量:311.142 密度:1.4±0.1 g/cm3 沸点:308.9±42.0 °C at 760 mmHg 熔点:N/A |
1547425-86-4 |
C11H14BrF3N2 |
2-[(6-Methyl-2-pyridinyl)oxy]ethanol |
2-[(6-Methyl-2-pyridinyl)oxy]ethanol |
分子量:153.178 密度:1.1±0.1 g/cm3 沸点:256.8±25.0 °C at 760 mmHg 熔点:N/A |
104472-97-1 |
C8H11NO2 |
2-Bromoethyl 4-bromo-2-fluorophenyl ether |
2-Bromoethyl 4-bromo-2-fluorophenyl ether |
分子量:297.947 密度:1.8±0.1 g/cm3 沸点:304.3±32.0 °C at 760 mmHg 熔点:N/A |
944278-92-6 |
C8H7Br2FO |
2-((2,6-二氯苯基)甲氧基)乙醇 |
2-[(2,6-Dichlorobenzyl)oxy]ethanol |
分子量:221.081 密度:1.3±0.1 g/cm3 沸点:318.8±32.0 °C at 760 mmHg 熔点:N/A |
85309-91-7 |
C9H10Cl2O2 |
4-Methyl-1-(toluene-4-sulfonyl)-piperidine |
4-Methyl-1-(toluene-4-sulfonyl)-piperidine |
分子量:253.361 密度:1.1±0.1 g/cm3 沸点:373.8±35.0 °C at 760 mmHg 熔点:N/A |
60212-39-7 |
C13H19NO2S |
顺式-5-甲基-1H-六氢吡咯并[3,4-b]吡咯双盐酸盐 |
cis-5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride |
分子量:162.66000 密度:N/A 沸点:N/A 熔点:N/A |
1363166-00-0 |
C7H15ClN2 |
Benzene, 4-bromo-1-fluoro-2-[(2-methoxyethoxy)methyl]- |
Benzene, 4-bromo-1-fluoro-2-[(2-methoxyethoxy)methyl]- |
分子量:263.103 密度:1.4±0.0 g/cm3 沸点:275.8±0.0 °C at 760 mmHg 熔点:N/A |
188723-93-5 |
C10H12BrFO2 |
5-Bromo-6-chloro-N-methyl-4-pyrimidinamine |
5-Bromo-6-chloro-N-methyl-4-pyrimidinamine |
分子量:222.470 密度:1.8±0.1 g/cm3 沸点:341.5±42.0 °C at 760 mmHg 熔点:N/A |
1289124-64-6 |
C5H5BrClN3 |
(3-((4-甲氧苯基)氨基甲酰)苯基)硼酸 |
(3-((4-Methoxyphenyl)carbamoyl)phenyl)boronic acid |
分子量:271.076 密度:1.3±0.1 g/cm3 沸点:N/A 熔点:N/A |
874459-99-1 |
C14H14BNO4 |
3-氟-4-(吗啉代甲基)苯基硼酸 |
3-fluoro-4-(Morpholinomethyl)phenylboronic acid |
分子量:239.051 密度:1.3±0.1 g/cm3 沸点:413.9±55.0 °C at 760 mmHg 熔点:N/A |
1333388-00-3 |
C11H15BFNO3 |
3-fluoro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
3-fluoro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
分子量:265.131 密度:1.1±0.1 g/cm3 沸点:365.1±37.0 °C at 760 mmHg 熔点:N/A |
1129542-03-5 |
C14H21BFNO2 |
3-氟-4-(3-吗啉代丙氧基)苯基硼酸 |
3-Fluoro-4-(3-morpholinopropoxy)phenylboronic acid |
分子量:283.104 密度:1.3±0.1 g/cm3 沸点:475.2±55.0 °C at 760 mmHg 熔点:N/A |
944279-32-7 |
C13H19BFNO4 |
Carbamic acid, N-[(3S,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester |
(2R,4S)-2-Hydroxymethyl-4-Boc-aminopyrrolidine hydrochloride |
分子量:216.27700 密度:N/A 沸点:N/A 熔点:N/A |
1070295-74-7 |
C10H20N2O3 |
烯丙基三丁基氯化膦 |
allyltributylphosphonium chloride |
分子量:278.84100 密度:N/A 沸点:N/A 熔点:N/A |
1530-48-9 |
C15H32ClP |
1-[(3-Bromophenyl)sulfonyl]-4-ethylpiperazine |
1-[(3-Bromophenyl)sulfonyl]-4-ethylpiperazine |
分子量:333.245 密度:1.5±0.1 g/cm3 沸点:425.0±55.0 °C at 760 mmHg 熔点:N/A |
1004636-96-7 |
C12H17BrN2O2S |
反式-1-苄基-4-苯基吡咯烷-3-羧酸 |
TRANS-1-BENZYL-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID |
分子量:281.34900 密度:N/A 沸点:N/A 熔点:N/A |
80896-73-7 |
C18H19NO2 |
4-Bromo-2-chloro-1-(methoxymethyl)benzene |
4-Bromo-2-chloro-1-(methoxymethyl)benzene |
分子量:235.505 密度:1.5±0.1 g/cm3 沸点:249.1±25.0 °C at 760 mmHg 熔点:N/A |
1602920-29-5 |
C8H8BrClO |
4-(4-乙基哌嗪-1-基磺酰)苯基硼酸 |
4-(4-Ethylpiperazin-1-ylsulfonyl)phenylboronic acid |
分子量:298.166 密度:1.4±0.1 g/cm3 沸点:483.4±55.0 °C at 760 mmHg 熔点:N/A |
486422-70-2 |
C12H19BN2O4S |
5-Bromo-2-(4-ethyl-1-piperazinyl)pyrimidine |
5-Bromo-2-(4-ethyl-1-piperazinyl)pyrimidine |
分子量:271.157 密度:1.4±0.1 g/cm3 沸点:375.7±52.0 °C at 760 mmHg 熔点:N/A |
950410-05-6 |
C10H15BrN4 |
Pyridine, 3-chloro-2-(1-pyrrolidinyl)-5-(trifluoromethyl)- |
Pyridine, 3-chloro-2-(1-pyrrolidinyl)-5-(trifluoromethyl)- |
分子量:250.648 密度:1.4±0.1 g/cm3 沸点:291.9±40.0 °C at 760 mmHg 熔点:N/A |
122599-20-6 |
C10H10ClF3N2 |
3-Pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)-1-(phenylmethyl)- |
3-Pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)-1-(phenylmethyl)- |
分子量:311.37500 密度:N/A 沸点:N/A 熔点:N/A |
939757-61-6 |
C19H21NO3 |
2-(4-Methyl-1-piperidinyl)-5-nitropyridine |
2-(4-Methyl-1-piperidinyl)-5-nitropyridine |
分子量:221.256 密度:1.2±0.1 g/cm3 沸点:381.2±27.0 °C at 760 mmHg 熔点:N/A |
82857-28-1 |
C11H15N3O2 |