Identification CAS Number 3238-40-2 Name 2,5-Furandicarboxylic acid Synonyms Furan-2,5-dicarboxylic acid FDCA Molecular Structure SMILES O=C(O)c1oc(C(=O)O)cc1 StnInChI InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10) StdInChIKey CHTHALBTIRVDBM-UHFFFAOYSA-N EINECS Number 221-800-8 MDL Number MFCD00016582 Molecular Formula C6H4O5 Molecular Weight 156.09 Properties Appearance White or off-white powder Melting Point >300 °C Flash Point 207.324 °C Boiling Point 419.199 °C at 760 mmHg Density 1.604 g/ml Safety…
ACLE CAS 113479-65-5
Identification CAS Number 113479-65-5 Name ACLE Synonyms (6R,7R)-7-Amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester hydrochloride; 7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride Molecular Structure SMILES O=C2N1/C(=C(CS[C@@H]1[C@@H]2N)CCl)C(=O)OCc3ccc(OC)cc3.Cl StdInChI InChI=1S/C16H17ClN2O4S.ClH/c1-22-11-4-2-9(3-5-11)7-23-16(21)13-10(6-17)8-24-15-12(18)14(20)19(13)15;/h2-5,12,15H,6-8,18H2,1H3;1H/t12-,15-;/m1./s1 StdInChIKey LYIIGHOYDRRHAJ-XRZFDKQNSA-N Molecular Formula C16H18Cl2N2O4S Molecular Weight 405.3 Properties Appearance Light yellow to white powder Flash Point 317.4 °C Boiling Point 601.1 °C at 760 mmHg Vapour Pressure 1E-14 mmHg at…
2,6-Pyrazinedicarboxylic acid CAS 940-07-8
Identification CAS Number 940-07-8 Name 2,6-Pyrazinedicarboxylic acid Synonyms AKOS 90649 PYRAZINE-2,6-DICARBOXYLIC ACID Molecular Structure SMILES O=C(O)c1nc(C(=O)O)cnc1 StdInChI InChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12) StdInChIKey CGGUNVYOABLSQD-UHFFFAOYSA-N Molecular Formula C6H4N2O4 Molecular Weight 168.11 Properties Appearance Light yellow to white powder Safety Data Symbol GHS07 Signal Word Warning Hazard Statements H302-H319 Precautionary Statements P305 + P351 + P338 Personal Protective Equipment dust mask…
Indazole-3-carboxylic-acid CAS 4498-67-3
Identification CAS Number 4498-67-3 Name Indazole-3-carboxylic-acid Synonyms 1H-Indazole-3-carboxylic acid Molecular Structure SMILES O=C(O)c2nnc1ccccc12 StdInChI InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12) StdInChIKey BHXVYTQDWMQVBI-UHFFFAOYSA-N Molecular Formula C8H6N2O2 EINECS Number 224-794-5 Beilstein Registry Number 6354 MDL Number MFCD00211066 Properties Appearance Beige to off-white crystalline powder Melting Point 266-270 °C (dec.) Flash Point 222.172 °C Boiling Point 443.749 °C at 760 mmHg Density 1.507g/ml Safety…
Indacaterol intermediate CAS 100331-89-3
Identification CAS Number 100331-89-3 Name 8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline Synonyms Indacaterol intermediate 1-[8-(Benzyloxy)-2-hydroxyquinolin-5-yl]-2-bromoethanone 2(1H)-Quinolinone, 5-(2-bromoacetyl)-8-(phenylmethoxy)- 8-(Benzyloxy)-5-(bromoacetyl)quinolin-2(1H)-one ethanone, 2-bromo-1-[2-hydroxy-8-(phenylmethoxy)-5-quinolinyl]- Molecular Structure SMILES BrCC(=O)c3ccc(OCc1ccccc1)c2c3C=C/C(=O)N2 StdInChI InChI=1S/C18H14BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22) StdInChIKey RVHSDLUBNZBRMH-UHFFFAOYSA-N Molecular Formula C18H14BrNO3 Molecular Weight 372.21 Properties Appearance White to off-white powder Flash Point 318.268 °C Boiling Point 602.645 °C at 760 mmHg Density 1.48g/ml Safety Data Personal Protective Equipment Eyeshields, Gloves…
3-Phenyl-3-methylthioaniline CAS 151386-72-0
Identification CAS Number 151386-72-0 Name 3-Phenyl-3-methylthioaniline Synonyms 3-[(Phenylthio)methyl]aniline Molecular Structure SMILES c1ccc(cc1)SCc2cccc(c2)N StdInChI InChI=1S/C13H13NS/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2 StdInChIKey RENIQZGAFNHYSJ-UHFFFAOYSA-N Molecular Formula C13H13NS Molecular Weight 215.31 Properties Appearance Off white to white crystal Flash Point 185.382 °C Boiling Point 382.917 °C at 760 mmHg Density 1.168 g/ml Safety Data Symbol GHS07 Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305…
3-Methoxydiphenylamine CAS 101-16-6
Identification CAS Number 101-16-6 Name 3-Methoxydiphenylamine Synonyms N-Phenyl-m-anisidine Molecular Structure SMILES O(c2cccc(Nc1ccccc1)c2)C StdInChI InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3 StdInChIKey MKASXAGBWHIGCF-UHFFFAOYSA-N EINECS Number 202-921-5 MDL Number MFCD00008383 Molecular Formula C13H13NO Molecular Weight 199.25 Properties Appearance Off white to white crystal Melting Point 72-74 °C(lit.) Flash Point 131.989 °C Boiling Point 329.831 °C at 760 mmHg Density 1.11 g/ml Safety Data Symbol GHS07…
Dimethyl dihydroxyfumarate CAS 133-47-1
Identification CAS Number 133-47-1 Name Dimethyl dihydroxyfumarate Synonyms (E)-2,3-Dihydroxy-2-butenedioic acid dimethyl ester DHF Molecular Structure SMILES O=C(C(O)=C(/O)OC)C(=O)OC StdInChI InChI=1S/C6H8O6/c1-11-5(9)3(7)4(8)6(10)12-2/h7,9H,1-2H3/b5-3- StdInChIKey ZOZWASZVLCLLAV-HYXAFXHYSA-N Molecular Formula C6H8O6 Molecular Weight 176.12 Properties Appearance White crystal Flash Point 110.828 °C Boiling Point 272.119 °C at 760 mmHg Density 1.435 g/ml Safety Data Symbol GHS07 Signal Word Warning Hazard Statements H315-H319-H335…
Dimethyl diacetoxyfumarate CAS 130-84-7
Identification CAS Number 130-84-7 Name Dimethyl diacetoxyfumarate Synonyms (E)-2,3-Bis(acetyloxy)-2-butenedioic acid dimethyl ester DAF Molecular Structure SMILES O=C(C)OC(=C(OC(C)=O)C(=O)OC)C(=O)OC StdInChI InChI=1S/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7+ StdInChIKey NKGXGEHGPYWBDK-BQYQJAHWSA-N Molecular Formula C10H12O8 Molecular Weight 260.20 Properties Appearance White crystal Flash Point 140.12 °C Melting Point 102-105 ºC Boiling Point 322.823 °C at 760 mmHg Density 1.296 g/ml Safety Data Symbol GHS07 Signal Word…
Sodium taurocholate hydrate CAS 145-42-6
Identification CAS Number 145-42-6 Name Sodium taurocholate hydrate Synonyms 2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide Taurocholic acid sodium salt hydrate Molecular Structure SMILES [Na+].[O-]S(=O)(=O)CCNC(=O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]2[C@@H]([C@@]1([C@@H](C[C@H](O)CC1)C[C@H]2O)C)C[C@H](O)[C@@]34C StdInChI InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1 StdInChIKey JAJWGJBVLPIOOH-IZYKLYLVSA-M EINECS Number 205-653-7 MDL Number MFCD00150819 Molecular Formula C26H44NNaO7S·xH2O Molecular Weight 537.68 Properties Appearance Off-white to white powder Melting Point 230 ºC Solubility >250 G/L (20 ºC) in water…