Basic information
- CAS
6876-00-2- Standard SMILES
Brc1cccc(Oc2ccccc2)c1- InChIKey
AHDAKFFMKLQPTD-UHFFFAOYSA-N- Molecular formula
- C12H9BrO
- Average molar mass
- 249.1 g/mol
- Monoisotopic mass
- 247.98367701
Names & identifiers
- Preferred name
- 3-Bromodiphenyl ether
- IUPAC
- 1-bromo-3-phenoxybenzene
- English name
- 3-Phenoxybromobenzene
- Molecular formula
- C12H9BrO
- Molecular weight
- 249.1
Names & synonyms
1-Bromo-3-phenoxybenzene6876-00-23-BROMODIPHENYL ETHERBenzene, 1-bromo-3-phenoxy-NSC-57095PBDE 23W9N49713JNSC 57095RefChem:499334663-208-63-PhenoxybromobenzeneMFCD00474520
Show more names
BDE No2PBDE No. 2m-Phenoxybromobenzenem-Bromophenoxybenzenem-Phenoxyphenyl bromide
m-bromodiphenyl ether1-bromo-3-phenoxy-benzeneAKOS001586441AB91707EU-0066933SR-01000390202C24:1-beta-glucosyl ceramideUNII-3W9N49713J
Database identifiers
- CAS
6876-00-2- PubChem CID
- 96165
- DTXSID
DTXSID9074773- UNII
- 3W9N49713J
- EC Number
- 663-208-6
- Nikkaji
- J151.727I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 200 · 200-203℃ (50 Torr)
- Density
- 1.3944 g/cm3 · 1.3944 g/cm3 (20℃)
- refractive index
- 1.6076 · 1.6076 (589.3 nm 20℃)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
- form
- liquid
- color
- Colourless
- Henry's Law Constant
- 2.3 · 2.3×10-2 mol/(m3Pa) at 25℃, Long et al. (2017)
- InChI
- 1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
- InChIKey
- AHDAKFFMKLQPTD-UHFFFAOYSA-N
- SMILES
- Brc1cccc(Oc2ccccc2)c1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 W9N49713J · 3W9N49713J
- EPA Substance Registry System
- 2 · PBDE 002 (6876-00-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H318-H335-H411
- Precautionary statements
- 261 · P261-P264-P273-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,N
- Risk Statements
- 37 · 37/38-41-43-51/53
- Safety Statements
- 26 · 26-36/37/39-61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 9040554 · CY9040554
- Hazard Note
- Irritant
- HS Code
- 2909303890 · 2909303890
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Eye · Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 Irrit. 2 (97.5%)
Safety data
- wgk
- 3
- rtecs
- CY9040554
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2909303890
- risk_code
- 37/38-41-43-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xi,N
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-61
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H318-H335-H411
- Hazard Classifications
- Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P273-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-Bromo-3-phenoxybenzene is part of a group of compounds called polybrominated diphenyl ethers. 1-Bromo-3-phenoxybenzene, along with other similar compounds, are widely used in industry as brominated flame retardants. Unfortunately, with their release into the environment, they pose significant hazards to the humans and wildlife that live in surrounding areas. 1-Bromo-3-phenoxybenzene is also known to induce toxic effects on the central nervous system, the liver, and kidneys in rats.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers95 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南赢创生物科技有限公司16650615803 · [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]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
武汉泰易成生化药业有限公司027-88320699 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [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]
郑州盖科科技有限公司0371-63336364 17344886665 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [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]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Related reactions
37 records
Compound notes
Loading…