Basic information
- CAS
64695-84-7- Standard SMILES
O=C(O)c1cc(F)c(F)cc1Br- InChIKey
DGCBGBZYTNTZJH-UHFFFAOYSA-N- Molecular formula
- C7H3BrF2O2
- Average molar mass
- 237 g/mol
- Monoisotopic mass
- 235.92845
Names & identifiers
- Preferred name
- 2-Bromo-4,5-difluorobenzoic acid
- IUPAC
- 2-bromo-4,5-difluorobenzoic acid
- English name
- 2-Bromo-4,5-difluorobenzoic acid
- Molecular formula
- C7H3BrF2O2
- Molecular weight
- 237
Names & synonyms
2-Bromo-4,5-difluorobenzoic acid64695-84-7DTXSID40382296RefChem:257114DTXCID60333321629-562-0MFCD049734222-Bromo-4,5-difluorobenzoicacid2-bromo-4,5-difluoro-benzoic AcidBenzoic acid,2-bromo-4,5-difluoro-Benzoic acid, 2-bromo-4,5-difluoro-SCHEMBL500029
Show more names
2-Bromo-4,5-difluorobenzoicaci2-Bromo-4,5-difluorobenzoic acid,97%2-Bromo-4,5-difluorobenzoic acid,98%min,
orb2940178CL8025SBB064468TYD-00401AKOS005257928AC-3907CS-W012865DS-1514
Database identifiers
- CAS
64695-84-7- PubChem CID
- 2782789
- DTXSID
DTXSID40382296- EC Number
- 629-562-0
- Nikkaji
- J510.175A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 118 · 118-122 °C (lit.)
- Boiling point
- 291.3 · 291.3±40.0 °C(Predicted)
- Density
- 1.872 · 1.872±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 2.45 · 2.45±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- InChI
- InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
- InChIKey
- DGCBGBZYTNTZJH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(F)=C(F)C=C1Br
- CAS DataBase Reference
- 64695 · 64695-84-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36-24/25
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29163990 · 29163990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Skin Irrit. 2 (11.1%)；Eye Irrit. 2 (11.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29163990
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- safety_code
- 36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-4,5-difluorobenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [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]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
杭州东帆化学有限公司86-0571-85151182
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
天津安浩生物科技有限公司[email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
Related reactions
19 records
Compound notes
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