Basic information
- CAS
6627-55-0- Standard SMILES
Cc1ccc(O)c(Br)c1- InChIKey
MTIDYGLTAOZOGU-UHFFFAOYSA-N- Molecular formula
- C7H7BrO
- Average molar mass
- 187.03 g/mol
- Monoisotopic mass
- 185.96802694
Names & identifiers
- Preferred name
- 2-Bromo-4-methylphenol
- IUPAC
- 2-bromo-4-methylphenol
- English name
- 2-Bromo-4-methylphenol
- Molecular formula
- C7H7BrO
- Molecular weight
- 187.03
Names & synonyms
2-Bromo-4-methylphenol6627-55-02-Bromo-p-cresolPhenol, 2-bromo-4-methyl-3-Bromo-4-hydroxytolueneEINECS 229-595-7NSC 60115BRN 1859036U7N9MXC7HGDTXSID8074574NSC-601154-06-00-02143 (Beilstein Handbook Reference)
Show more names
AKOS BBB/3682-bromo-p-cres2-bromo-p-creso2-Bromo-4-cresol2-Bromo-p-cresol >2-Bromo-p-methylphenol4-Methyl-2-bromophenol
RefChem:85740DTXCID0044781MTIDYGLTAOZOGU-UHFFFAOYSA-N2-bromo-4-methyl-phenolp-CRESOL, 2-BROMO-MFCD000021512-Bromo-4-methylphenol, 96%NSC60115
Database identifiers
- CAS
6627-55-0- PubChem CID
- 23109
- DTXSID
DTXSID8074574- UNII
- U7N9MXC7HG
- EC Number
- 229-595-7
- Nikkaji
- J28.688E
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 94.9
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 245 · 245-247 °C
- Density
- 1.554 · 1.554±0.06 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
- refractive index
- 20 · n20/D 1.578(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Chloroform, Methanol
- pka
- 8.73 · 8.73±0.18(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
- InChIKey
- MTIDYGLTAOZOGU-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C)C=C1Br
- CAS DataBase Reference
- 6627 · 6627-55-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 N9MXC7HG · U7N9MXC7HG
- NIST Chemistry Reference
- 2 · Phenol, 2-bromo-4-methyl-(6627-55-0)
- EPA Substance Registry System
- 2 · Phenol, 2-bromo-4-methyl- (6627-55-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-21/22
- Safety Statements
- 26 · 26-37/39-36/37/39-24/25
- WGK Germany
- 3 · 3
- RTECS
- 6868200 · GO6868200
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29071990 · 29071990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (10.4%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (10.4%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GO6868200
- hs_code
- 29071990
- risk_code
- 36/37/38-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-bromo-4-methyl-: ACTIVE
Applications
UsesIt is applied as a compound responsible for iodine off-flavor in wines.
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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上海策嵘生物科技有限公司[email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [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]
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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]
常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [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]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
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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]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [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]
四川海诺威科技有限公司13708085536 13708085536 · [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]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
Related reactions
29 records
Compound notes
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