Basic information
- CAS
59748-90-2- Standard SMILES
O=C(O)c1ccc(Br)cc1Cl- InChIKey
JAVZWSOFJKYSDY-UHFFFAOYSA-N- Molecular formula
- C7H4BrClO2
- Average molar mass
- 235.46 g/mol
- Monoisotopic mass
- 233.90831915
Names & identifiers
- Preferred name
- 4-Bromo-2-chlorobenzoic acid
- IUPAC
- 4-bromo-2-chlorobenzoic acid
- English name
- 4-Bromo-2-chlorobenzoic acid
- Molecular formula
- C7H4BrClO2
- Molecular weight
- 235.46
Names & synonyms
4-Bromo-2-chlorobenzoic acid59748-90-2EINECS 261-911-9JAVZWSOFJKYSDY-UHFFFAOYSA-DTXSID20208460RefChem:519622DTXCID40130951261-911-9InChI=1/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)Benzoic acid, 4-bromo-2-chloro-2-Chloro-4-bromobenzoic acid4-Bromo-2-chlorobenzoicacid
Show more names
RARECHEM AL BO 23714-Bromo-2-chlorobenzoic4-Bromo-2-ChlorobenzoicAci4-Bromo-2-chlorobenzoic Acid >4-Bromo-2-chlorobenzoic acid 97%4-BROMO-2-CHLOROBENZOIC ACID 98+%2-Chloride-4-Bromine Benzoic Acids
MFCD0004090359748-92-44-bromo-2-chloro-benzoic acid4-bromo-2chlorobenzoic acidSCHEMBL2567184-Bromo-2-chlorobenzoic acid, 97%PS-76582-Chloro-4-bromobenzoic Acid; 4-Bromo-2-chloro-benzoic Acid;
Database identifiers
- CAS
59748-90-2- PubChem CID
- 108829
- DTXSID
DTXSID20208460- UNII
- 695NUG32VH
- EC Number
- 261-911-9
- Nikkaji
- J149.968H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 171 · 171-175 °C
- Boiling point
- 319.1 · 319.1±27.0 °C(Predicted)
- Density
- 1.809 · 1.809±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 2.68 · 2.68±0.25(Predicted)
- form
- Solid
- color
- Off-White
- InChI
- InChI=1S/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
- InChIKey
- JAVZWSOFJKYSDY-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(Br)C=C1Cl
- CAS DataBase Reference
- 59748 · 59748-90-2(CAS DataBase Reference)
- FDA UNII
- 695 NUG32VH · 695NUG32VH
- NIST Chemistry Reference
- 4 · 4-Bromo-2-chlorobenzoic acid(59748-90-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
- Precautionary statements
- 264 · P264-P270-P273-P301+P310-P391-P405
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,N,Xi
- Risk Statements
- 22 · 22-50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- 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 OralAquatic · Acute Tox. 3 OralAquatic Acute 1
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 (87%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (87%)
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
- 22-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xn,N,Xi
- safety_code
- 60-61
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301-H400
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1
- Precautionary statements
- P264-P270-P273-P301+P310-P391-P405
Chemistry & industry
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]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
常州思丹德化工有限公司0519-85607885 13776800733 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [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]
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]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [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]
武汉爱瑞克科技有限公司027- 51832457 94518350
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
阜新奥瑞凯精细化工有限公司（沈阳同元素）+86-024-83607930 18640359690 · [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]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
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]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [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]
Related reactions
112 records
Compound notes
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