Basic information
- CAS
1142953-55-6- Standard SMILES
BrC[C@H]1COc2ccccc2O1- InChIKey
QYLFKNVZIFTCIY-ZETCQYMHSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859
Names & identifiers
- Preferred name
- 2-Bromomethyl-1,4-benzodioxane, (R)-
- IUPAC
- (3R)-3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
- English name
- (R)-2-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
(R)-2-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine(3R)-3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-, (2R)-TN52H68P6D(-)-2-Bromomethyl-1,4-benzodioxane2-Bromomethyl-1,4-benzodioxane, (R)-(R)-2-(Bromomethyl)-2,3-dihydrobenzo(b)(1,4)dioxineRefChem:197696824-767-31142953-55-6MFCD12756174(2R)-2-(BROMOMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXINE
Show more names
(S)-2-(broMoMethyl)-2,3-dihydrobenzo[b][1,4]dioxine(3R)-3-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine - [B89537]
UNII-TN52H68P6DSCHEMBL15864850AKOS017342824AS-49459SY245725CS-0060603I10587F609795
Database identifiers
- CAS
1142953-55-6- PubChem CID
- 6932008
- UNII
- TN52H68P6D
- EC Number
- 824-767-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 288.3 · 288.3±19.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 52 H68P6D · TN52H68P6D
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
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
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers29 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
台州南峰药物研究所[email protected] 13127117265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海伟聂化工科技有限公司15902145085 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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