Basic information
- CAS
488-11-9- Standard SMILES
O=C/C(Br)=C(/Br)C(=O)O- InChIKey
NCNYEGJDGNOYJX-IHWYPQMZSA-N- Molecular formula
- C4H2Br2O3
- Average molar mass
- 257.86 g/mol
- Monoisotopic mass
- 255.83706812
Overview
in Chemline, RN above is for the gamma-lactone form; asparagine synthetase antagonist; structure
Names & identifiers
- Preferred name
- Mucobromic Acid
- IUPAC
- (Z)-2,3-dibromo-4-oxobut-2-enoic acid
- English name
- Mucobromic acid
- Molecular formula
- C4H2Br2O3
- Molecular weight
- 257.86
Names & synonyms
Mucobromic acid488-11-9DTXSID20883397RefChem:819579DTXCID501022931207-670-5212-164-2Bromomucic acid(Z)-2,3-dibromo-4-oxobut-2-enoic acid2,3-Dibromomalealdehydic acid2,3-Dibromo-4-oxo-2-butenoic acid2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-
Show more names
CID 68100MucobromsureSticky broMateMucobromicAcid99%MucobromicAcid>
(2Z)-2,3-Dibromo-4-oxobut-2-enoic acidMalealdehydic acid, dibromo-MFCD000637452-Butenoic acid, 2,3-dibromo-4-oxo-, (Z)-C4H2Br2O321577-50-4CCRIS 6704dibromoaldehydoacrylic acid
Database identifiers
- CAS
488-11-9- PubChem CID
- 3033972
- DTXSID
DTXSID20883397- ChEMBL
CHEMBL1170049- EC Number
- 207-670-5
- Nikkaji
- J3.637D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 120 · 120-124 °C (lit.)
- Boiling point
- 321.8 · 321.8±42.0 °C(Predicted)
- Density
- 2.2801 · 2.2801 (rough estimate)
- refractive index
- 1.4947 · 1.4947 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 0.28 · 0.28±0.44(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- BRN
- 1705707 · 1705707
- InChI
- InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
- InChIKey
- NCNYEGJDGNOYJX-IHWYPQMZSA-N
- SMILES
- C(O)(=O)/C(/Br)=C(/Br)\C=O
- CAS DataBase Reference
- 488 · 488-11-9(CAS DataBase Reference)
- NIST Chemistry Reference
- Mucobromic acid(488-11-9)
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)- (488-11-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-37
- Safety Statements
- 26 · 26-36/37/39-45-27
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29183000 · 29183000
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butenoic acid, 2,3-dibromo-4-oxo-, (Z)-
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29183000
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 2,3-dibromo-4-oxo-, (2Z)-: ACTIVE
Applications
UsesMucobromic Acid is an inhibitor of tumoral and pancreatic L-asparagine synthetases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京岽兴科技有限公司15801121354; 15801121354 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
天津科创医药中间体技术生产力促进有限公司022-60116533 13207668525 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海兴鲁化工科技有限公司02120970332 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
Related reactions
47 records
Compound notes
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