Basic information
- CAS
580-13-2- Standard SMILES
Brc1ccc2ccccc2c1- InChIKey
APSMUYYLXZULMS-UHFFFAOYSA-N- Molecular formula
- C10H7Br
- Average molar mass
- 207.07 g/mol
- Monoisotopic mass
- 205.97311232
Names & identifiers
- Preferred name
- 2-Bromonaphthalene
- IUPAC
- 2-bromonaphthalene
- English name
- 2-Bromonaphthalene
- Molecular formula
- C10H7Br
- Molecular weight
- 207.07
Names & synonyms
2-BROMONAPHTHALENE580-13-2Naphthalene, 2-bromo-2-Naphthyl bromidebeta-Bromonaphthalene.beta.-Bromonaphthalenebeta-Naphthyl bromide.beta.-Naphthyl bromideNSC 4011UNII-SYU33I753NSYU33I753NDTXSID3060378
Show more names
2-Bromonapthaline2-BROMONAPHTALENE2-bromo-naphthalenBROMONAPHTHALENE(2-)qtm pah site monitoring solutionDI2F2-Bromo Nap2-naphthyl-Br2-BromonaphthaL2-Bromnaphthalin
NSC-4011EINECS 209-452-5AI3-199282-BROMONAPHTHALENE [MI]2naphthyl bromidebetaBromonaphthalenebetaNaphthyl bromideNaphthalene, 2bromo
Database identifiers
- CAS
580-13-2- PubChem CID
- 11372
- DTXSID
DTXSID3060378- ChEMBL
CHEMBL192643- UNII
- SYU33I753N
- EC Number
- 209-452-5
- Nikkaji
- J94.978G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00347 [mmHg]
Physical DescriptionSolid; [Merck Index] White to pale yellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 52 · 52-55 °C (lit.)
- Boiling point
- 281 · 281-282 °C (lit.)
- Density
- 1 · 1,605 g/cm3
- refractive index
- 1.6382 · 1.6382
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 50 mg/mL, · methanol: soluble50mg/mL, clear, colorless to yellow
- form
- Liquid
- color
- Clear light yellow to orange-brown
- Water Solubility
- slightly soluble
- Merck
- 14 · 14,1426
- BRN
- 1858110 · 1858110
- Henry's Law Constant
- 4.3 · 4.3×10-2 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChIKey
- APSMUYYLXZULMS-UHFFFAOYSA-N
- SMILES
- Brc1ccc2ccccc2c1
- CAS DataBase Reference
- 580 · 580-13-2(CAS DataBase Reference)
- FDA UNII
- 33 I753N · SYU33I753N
- NIST Chemistry Reference
- 2 · 2-Bromonaphthalene(580-13-2)
- EPA Substance Registry System
- 2 · Naphthalene, 2-bromo- (580-13-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 301 · P301+P312+P330-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- RIDADR
- 1230 · UN1230 - class 3 - PG 2 - Methanol
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29039990 · 29039990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.
Warning
H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Naphthalene, 2-bromo-
Status: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24311
Naphthalene, 2-bromo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Naphthalene.
Hazard Classes and CategoriesAcute Tox. 4 (94%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN1230 - class 3 - PG 2 - Methanol
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P301+P312+P330-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphthalene, 2-bromo-: ACTIVE
Applications
Uses2-Bromonaphthalene is used as a raw material in the preparation of biaryls through Suzuki cross coupling reaction. Further, it plays a vital role in the preparation of dyes. It is also used to study potential tumorigenicity.
General DescriptionReaction of 2-bromonaphthalene with cuprous cyanide in N-methylpyrrolidone has been investigated. Nanosecond time-resolved resonance Raman spectra of the T1→Tn transition of 2-bromonaphthalene in methanol solvent has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州圣壹新材料科技有限公司0371-63891666 18037898020 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [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]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[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]
大连美仑生物技术有限公司0411-62910999 13889544652 · [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]
常州福盟生物科技有限公司0519-89882557 13912311481
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]
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]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [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]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
常州创视电子科技有限公司+86 (519) 8829-2061 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [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]
上海拓莱化学科技有限公司021-31137757-00; 18121466954;18121466954 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [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]
上海倍卓生物科技有限公司021-61119791,13386096464 · [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]
安徽科迪达化工有限公司0554-2106669 · [email protected]
郑州海阔光电材料有限公司0371-67759225 13526468238 · [email protected]
Related reactions
136 records
Compound notes
Loading…