CAS Number3475-39-6
Synonyms1,1,3-Tribromoacetone; 1,1,3-tribromopropanone; 1,1,3-Tribrom-aceton; 1,1,3-tribromo-propan-2-one; 1,3-Tribromoacetone; 1,1,3-tribromo-2-propanone; 2-Propanone,1,3-tribromo
Molecular FormulaC3H3Br3O
Molecular Weight294.77
Purity98.00%
Density2.6±0.1 g/cm3
Boiling Point266.2±25.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3475-39-6 |
| Catalog No. | 2A-9029858 |
| Chinese Name | 1,1,3-三溴丙酮 |
| Synonyms | 1,1,3-Tribromoacetone; 1,1,3-tribromopropanone; 1,1,3-Tribrom-aceton; 1,1,3-tribromo-propan-2-one; 1,3-Tribromoacetone; 1,1,3-tribromo-2-propanone; 2-Propanone,1,3-tribromo |
| Molecular Formula | C3H3Br3O |
| Molecular Weight | 294.77 |
| Purity | 98.00 |
| Density | 2.6±0.1 g/cm3 |
| Boiling Point | 266.2±25.0 °C at 760 mmHg |
| Application | 1,1,3-Tribromoacetone is an impurity in methotrexate. Methotrexate (Amethopterin) is an antimetabolite and antifolate that inhibits dihydrofolate reductase, thereby preventing the conversion of folate |
| HTC | 2914700090 |
| PubChem ID | 133510 |
| MDL Number | C3H3Br3O |
| SMILES | O=C(CBr)C(Br)Br |
| InChI | InChI=1S/C3H3Br3O/c4-1-2(7)3(5)6/h3H,1H2 |
| InChI Key | FNYCCOFOQIUTIM-UHFFFAOYSA-N |
| MSDS | msds/29858_1_3475_39_6.pdf |
| Use of | 1,1,3-Tribromoacetone is an impurity of methotrexate[1]. Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis[1]. Properties Name 1,1,3-tribromopropan-2-one Synonym More Synonyms 1,1,3-Tribromoacetone Biological Activity Description 1,1,3-Tribromoacetone is an impurity of methotrexate[1]. Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Balwant Singh, et al. Process for the preparation of high purity methotrexate and derivatives thereof. Patent US4374987A 87A [2]. [2].Swierkot J, et al. Methotrexate in rheumatoid arthritis. Pharmacol Rep. 2006 Jul-Aug;58(4):473-92 [3]. Banji D, et al. Evaluation of the concomitant use of methotrexate and curcumin on Freund's complete adjuvant-induced arthritis and hematological indices in rats. Indian J Pharmacol. 2011;43(5):546-550. Chemical & Physical Properties Molecular Formula C3H3Br3O Exact Mass 291.773376 PSA 17.07000 Index of Refraction 1.595 InChIKey FNYCCOFOQIUTIM-UHFFFAOYSA-N SMILES O=C(CBr)C(Br)Br Safety Information HS Code 2914700090 Synthetic Route 3-Bromopropyne 1,1,3-Tribromoa... Literature: Tetrahedron Letters, , vol. 54, # 30 p. 3993 - 3996 1,2-bis(2-pheno... 26307-21-1 4-Bromophenol 1,3-Dibromo-2-p... 1,1,3-Tribromoa... Literature: Journal of the Chemical Society, Chemical Communications, , # 15 p. 1159 - 1160 2-trimethylsily... 62012-16-2 Bromo(trimethyl... 1,1,3-Tribromoa... Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 51, # 10 p. 2252 - 2266,1935 - 1947 Precursor & DownStream Precursor 10 CAS#:106-96-7 3-Bromopropyne CAS#:26307-21-1 1,2-bis(2-pheno... CAS#:62012-16-2 2-trimethylsily... CAS#:67-64-1 DownStream 5 CAS#:119-24-4 4-(((2-Amino-4-... CAS#:1609-92-3 (Z)-2-FORMYLAMI... CAS#:19741-14-1 4-Amino-4-deoxy... CAS#:6214-22-8 (2Z)-3-Bromopro... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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