Basic information
- CAS
13731-82-3- Standard SMILES
O=C(O)c1cc(Br)c(C(=O)O)cc1Br- InChIKey
VUTICWRXMKBOSF-UHFFFAOYSA-N- Molecular formula
- C8H4Br2O4
- Average molar mass
- 323.92 g/mol
- Monoisotopic mass
- 321.84763281
Names & identifiers
- Preferred name
- 2,5-Dibromoterephthalic acid
- IUPAC
- 2,5-dibromoterephthalic acid
- English name
- 2,5-Dibromoterephthalic acid
- Molecular formula
- C8H4Br2O4
- Molecular weight
- 323.92
Names & synonyms
2,5-Dibromoterephthalic acid1,4-Benzenedicarboxylic acid, 2,5-dibromo-63JN659KM5NSC-115430DTXSID40656002,5-DIBROMO-1,4-BENZENEDICARBOXYLIC ACIDRefChem:82779DTXCID2034417237-300-813731-82-32,5-dibromoterephtalic acid2,5-dibromobenzene-1,4-dicarboxylic acid
Show more names
JACS-13731-82-32,5-Dibromoterephtha2,5-Dibromterephthalsure2,5-DibromoterephthalicAci2,5-dibromotetrephthalic acid2,5-DibromoterephthalicAcid>2,5-dibromo-4-benzenedicarboxylicacid
MFCD002045932,5-Dibromoterephtalicacid2,5-DibromoterephthalicAcidEINECS 237-300-8NSC 1154301, 2,5-dibromo-Maybridge1_002153SCHEMBL71146
Database identifiers
- CAS
13731-82-3- PubChem CID
- 83690
- DTXSID
DTXSID4065600- UNII
- 63JN659KM5
- EC Number
- 237-300-8
- Nikkaji
- J60.360K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 320 · 320-325°C
- Boiling point
- 445 · 445.0±45.0 °C(Predicted)
- Density
- 2.205 · 2.205±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 1.75 · 1.75±0.10(Predicted)
- color
- White to Almost white
- InChIKey
- VUTICWRXMKBOSF-UHFFFAOYSA-N
- CAS DataBase Reference
- 13731 · 13731-82-3(CAS DataBase Reference)
- FDA UNII
- 63 JN659KM5 · 63JN659KM5
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarboxylic acid, 2,5-dibromo- (13731-82-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- C,Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- TSCA
- TSCA listed
- HS Code
- 2917399590 · 2917399590
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (33.3%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2917399590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- safety_code
- 26-37/39-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarboxylic acid, 2,5-dibromo-: INACTIVE
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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
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江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Related reactions
2 records
Compound notes
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