Basic information
- CAS
626-41-5- Standard SMILES
Oc1cc(Br)cc(Br)c1- InChIKey
PZFMWYNHJFZBPO-UHFFFAOYSA-N- Molecular formula
- C6H4Br2O
- Average molar mass
- 251.9 g/mol
- Monoisotopic mass
- 249.86289
Names & identifiers
- Preferred name
- 3,5-Dibromophenol
- IUPAC
- 3,5-dibromophenol
- English name
- 3,5-Dibromophenol
- Molecular formula
- C6H4Br2O
- Molecular weight
- 251.9
Names & synonyms
3,5-DIBROMOPHENOLPhenol, 3,5-dibromo-DTXSID70211646RefChem:91445DTXCID00134137629-188-8626-41-53,5-DibromphenolMFCD064113763,5-Dibromophenol, 97%SCHEMBL309955TD1260
Show more names
3,5-Dlbromophenol3,5-Dibromophenol>Phenol, 3,5-dibroMo-3 5-DIBROMOPHENOL 973,5-Dibromophenol 98%Phloroglucinol Impurity 153,5-Dibromophenol pure, 98%3,5-Dibromophenol@100 μg/mL in Toluene
AKOS005068134CS-W007905GS-3389SY012996D3820EN300-1137043,5-Dibromo-phenolBCP05888
Database identifiers
- CAS
626-41-5- PubChem CID
- 12280
- DTXSID
DTXSID70211646- ChEMBL
CHEMBL450082- EC Number
- 629-188-8
- Nikkaji
- J94.907H
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 87
Physicochemical properties
- Melting point
- 79 · 79-83 °C (lit.)
- Boiling point
- 122 °C/3mmHg · 122°C/3mmHg(lit.)
- Density
- 1.8854 · 1.8854 (rough estimate)
- refractive index
- 1.538 · 1.5380 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1 · pK1:8.056 (25°C)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Sightly soluble in water. Soluble in methanol.
- InChI
- 1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
- InChIKey
- PZFMWYNHJFZBPO-UHFFFAOYSA-N
- SMILES
- Oc1cc(Br)cc(Br)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Keep Cold
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29081990 · 29081990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 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 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29081990
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3,5-Dibromophenol is used as a pharmaceutical intermediate. It is also used to prepare aromatic polyesters and drugs for arthritis.
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]
上海策嵘生物科技有限公司[email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
T&W GROUP021-61551611 13296011611 · [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]
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Ark Pharm, Inc.847-367-3680 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
张家港保税区凯利特化工有限公司18606289633 15862625988 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
常州凯立医药科技有限公司0519-81096292 15312577869 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海卓因生物科技有限公司021-61317773 · [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]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [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]
北京华扬致成科技有限公司13716033033 · [email protected]
Related reactions
62 records
Compound notes
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