Basic information
- CAS
300-38-9- Standard SMILES
NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O- InChIKey
COESHZUDRKCEPA-UHFFFAOYSA-N- Molecular formula
- C9H9Br2NO3
- Average molar mass
- 338.98 g/mol
- Monoisotopic mass
- 336.89492
Overview
3,5-Dibromo-tyrosine is a monocarboxylic acid.
Names & identifiers
- Preferred name
- 3,5-Dibromotyrosine
- IUPAC
- 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
- English name
- 3,5-Dibromo-L-tyrosine
- Molecular formula
- C9H9Br2NO3
- Molecular weight
- 338.98
Names & synonyms
537-24-63,5-DIBROMOTYROSINE3,5-Dibromo-tyrosine1996ZXQ53JDTXSID50870497RefChem:910693DTXCID70818215208-661-92-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acidTyrosine, 3,5-dibromo-d-3,5-dibromotyrosineNSC210786
Show more names
(S)-2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acidC03224BiotirenDibromo LDibromotyrosineL-Tyr(3',5'-Br2)H-Tyr(3,5-DiBr)-OH3,5-Dibromo-L-tyrosi3,5-Dibromo-L-Tyr-OH3,5-Dibromo-L-tyrosine
BromotirenCHEMBL1253341NSC-39452L-Tyrosine,5-dibromo-Tyrosine,5-dibromo-, L-3,5-Dibromo-DL-tyrosineDL-dibromotyrosineL-3,5-Dibromotyrosine
Database identifiers
- CAS
300-38-9、537-24-6- PubChem CID
- 10833
- DTXSID
DTXSID50870497
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 245 °C · 245°C
- Boiling point
- 416.6 · 416.6±45.0 °C(Predicted)
- Density
- 1.9706 · 1.9706 (rough estimate)
- refractive index
- 0.8 ° · 0.8 ° (C=5, 1mol/L HCl)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Aqueous Base (Slightly), Methanol (Slightly, Sonicated), Water (Slightly)
- pka
- 2.17 · 2.17, 6.45, 7.60(at 25℃)
- form
- Solid
- color
- White to Off-White
- optical activity
- 0.7 ° · 0.7°(C=0.01g/ml IN HCL)
- Merck
- 14 · 14,3030
- InChI
- InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
- InChIKey
- COESHZUDRKCEPA-UHFFFAOYSA-N
- SMILES
- C(O)(=O)[C@H](CC1=CC(Br)=C(O)C(Br)=C1)N
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922.50.4000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3,5-Dibromo-L-tyrosine is a dibrominated derivative of L-Tyrosine (T899975), one of the 22 proteinogenic amino acids that are used by cells to synthesize proteins.
Upstream & downstream products
Downstream products
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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