Basic information
- Standard SMILES
Oc1ccc(Cl)cc1Br- InChIKey
ZIYRDJLAJYTELF-UHFFFAOYSA-N- Molecular formula
- C6H4BrClO
- Average molar mass
- 207.45 g/mol
- Monoisotopic mass
- 205.91340453
Names & identifiers
- Preferred name
- 2-Bromo-4-chlorophenol
- IUPAC
- 2-bromo-4-chlorophenol
- English name
- 2-Bromo-4-chlorophenol
- Molecular formula
- C6H4BrClO
- Molecular weight
- 207.45
Names & synonyms
2-Bromo-4-chlorophenol695-96-5Phenol, 2-bromo-4-chloro-EINECS 211-785-6NSC 59695DTXSID20219733RefChem:85714DTXCID70142224Phenol, 2-bromo-4-chloro-(8CI)Phenol, 2-bromo-4-chloro-(8CI)(9CI)211-785-6InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9
Show more names
O-broMo-chloro-phenol2-Bromo-4-chlorophenol 98%2-Bromo-4-chlorophenol >2-Bromo-4-chlorophenol, 98+%2-Bromo-4-chlorophenol, 99+%2-BroMo-4-chlorophenol, 99+% 25GR2-Bromo-4-chlorophenol,695-96-5,OLED Intermediates,organic synthetic intermediate
ZIYRDJLAJYTELF-UHFFFAOYSA-N4-Chloro-2-bromophenol2-bromo-4-chloro-phenolMFCD00002319NSC-59695Phenol, 2-bromo-4-chloro-; 2-Bromo-4-chlorophenol; NSC 59695NSC596952-bromo-4-chorophenol
Database identifiers
- CAS
695-96-5- PubChem CID
- 69670
- DTXSID
DTXSID20219733- UNII
- BCR4U2R8JW
- EC Number
- 211-785-6
- Nikkaji
- J101.731D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 31 · 31-33 °C (lit.)
- Boiling point
- 121 · 121-123 °C/10 mmHg (lit.)
- Density
- 1.6027 · 1.6027 (rough estimate)
- refractive index
- 1.573 · 1.5730 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 7.98 · 7.98±0.18(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorles to Yellow to Orange
- BRN
- 2042871 · 2042871
- InChI
- InChI=1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
- InChIKey
- ZIYRDJLAJYTELF-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(Cl)C=C1Br
- CAS DataBase Reference
- 695 · 695-96-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · Phenol, 2-bromo-4-chloro-(695-96-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-28-36/39-24/25
- RIDADR
- 2020 · UN 2020 6.1/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29081000 · 29081000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (10.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 2020 6.1/PG 3
- hs_code
- 29081000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-28-36/39-24/25
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-4-chlorophenol is a reactant in the preparation of 3-(2-(2,4-dichlorophenoxy)ethoxy)-6-methyl-2-nitropyridine selective sphingosine-1-phosphate 4 receptor (S1P4-R) agonist.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 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]
上海策嵘生物科技有限公司[email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
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]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
无锡中坤生化科技有限公司+86 0510-85629785
上海宸香医药科技有限公司021-20960837 · [email protected]
南京圣赛化工有限公司025-85205967 13951876367 · [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]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [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]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
安徽曦旺医药有限公司18856027890 18856027890 · [email protected]
杭州创瑞化工科技有限公司17300981287 13757145729 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Related reactions
70 records
Linked notes
Loading…