Basic information
- Standard SMILES
Brc1nccc2ccccc12- InChIKey
YWWZASFPWWPUBN-UHFFFAOYSA-N- Molecular formula
- C9H6BrN
- Average molar mass
- 208.05 g/mol
- Monoisotopic mass
- 206.96836129
Names & identifiers
- Preferred name
- 1-Bromoisoquinoline
- IUPAC
- 1-bromoisoquinoline
- English name
- 1-Bromoisoquinoline
- Molecular formula
- C9H6BrN
- Molecular weight
- 208.05
Names & synonyms
1-bromoisoquinoline1532-71-4isoquinoline, 1-bromo-DTXSID20348830RefChem:75169DTXCID50299902679-571-9InChI=1/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-61-Bromo-isoquinolinebromoisoquinolineMFCD002344781-Bromoisoquinoline, 95%
Show more names
1-Bromoisoquinoline >1-Bromoisoquinoline 95%1-BROMOISOQUINOLINE, 95+%1-Bromoisoquinoline, White to amber1-Bromoisoquinoline ISO 9001：2015 REACHCarbamicacid,N-(2-bromoethyl)-N-methyl-,1,4-dimethylethylesterIsoquinoline, 1-broMo- Superlist NaMe：1-broMoisoquinoline
AKOS005256732AB92161AC-1444EN300-103382SCHEMBL248635SCHEMBL3197034SCHEMBL30100779CS-D0174
Database identifiers
- CAS
1532-71-4- PubChem CID
- 640963
- DTXSID
DTXSID20348830- EC Number
- 679-571-9
- Nikkaji
- J1.485.747H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 42 to · 42.0 to 46.0 °C
- Boiling point
- 316.3 · 316.3±15.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.03 · 2.03±0.30(Predicted)
- form
- Low Melting Solid
- color
- Light yellow to light brown
- InChI
- 1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
- InChIKey
- YWWZASFPWWPUBN-UHFFFAOYSA-N
- SMILES
- Brc1nccc2ccccc12
- CAS DataBase Reference
- 1532 · 1532-71-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318-H315-H319
- Precautionary statements
- 264 · P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P301+P310-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25-41
- Safety Statements
- 26 · 26-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 2 · 2
- HS Code
- 29334900 · 29334900
- Storage Class
- 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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. 3 (93.2%)
Safety data
- wgk
- 2
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29334900
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS06
- hazard_code
- Xi,T
- safety_code
- 26-45
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard statements
- H301-H318-H315-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P301+P310-P305+P351+P338
Chemistry & industry
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
杭州东帆化学有限公司86-0571-85151182
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
常州创视电子科技有限公司+86 (519) 8829-2061 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
越林试剂021-62960152 · [email protected]
上海彰锐化工科技有限公司021-54880687
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]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
宁波智锐新材料有限公司0574-87487840-805 15888368997
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Related reactions
15 records
Linked notes
Loading…