Basic information
- CAS
1082041-90-4- Standard SMILES
Clc1c(Br)ccc2[nH]ncc12- InChIKey
GMGRNRQBEWCLKJ-UHFFFAOYSA-N- Molecular formula
- C7H4BrClN2
- Average molar mass
- 231.48 g/mol
- Monoisotopic mass
- 229.92463791
Names & identifiers
- Preferred name
- 5-bromo-4-chloro-1H-indazole
- IUPAC
- 5-bromo-4-chloro-1H-indazole
- English name
- 5-Bromo-4-chloro-1H-indazole
- Molecular formula
- C7H4BrClN2
- Molecular weight
- 231.48
Names & synonyms
5-BROMO-4-CHLORO-1H-INDAZOLE1082041-90-4DTXSID30672173RefChem:301853DTXCID40622922802-616-2MFCD11007933SCHEMBL7671095-bromo-4-chloro-2H-IndazoleSCHEMBL23028349AKOS005258443SB15964
Show more names
1H-Indazole, 5-bromo-4-chloro-2-methylthiazole-10-carboxylic acid
AS-50746SY0995532669084-76-65-Bromo-4-chloro (1H)indazoleAMY2130BCP013455-Bromo-4-chloro-1H-indazole, AldrichCPRDB-427570
Database identifiers
- CAS
1082041-90-4- PubChem CID
- 45790030
- DTXSID
DTXSID30672173- EC Number
- 802-616-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 374.7 · 374.7±22.0 °C(Predicted)
- Density
- 1.878 · 1.878±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 11.56 · 11.56±0.40(Predicted)
- form
- powder
- color
- Yellow/gold
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2810 · UN 2810 6.1 / PGIII
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers90 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
南京代盟化工有限公司02566880956 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
6 records
Compound notes
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