Basic information
- CAS
1093418-75-7- Standard SMILES
COC(=O)c1ccc(Br)cc1I- InChIKey
VAYKANWZAJRNOM-UHFFFAOYSA-N- Molecular formula
- C8H6BrIO2
- Average molar mass
- 340.94 g/mol
Names & identifiers
- Preferred name
- Methyl 4-bromo-2-iodobenzoate
- IUPAC
- methyl 4-bromo-2-iodobenzoate
- English name
- 4-BroMo-2-iodo-benzoic acid Methyl ester
- Molecular formula
- C8H6BrIO2
- Molecular weight
- 340.94
Names & synonyms
methyl 4-bromo-2-iodobenzoate1093418-75-7RefChem:816249961-426-94-Bromo-2-iodo-benzoic acid methyl esterMethyl 4-bromo-2-iodo-benzoateMFCD16877107Benzoic acid, 4-bromo-2-iodo-, methyl estermethyl4-bromo-2-iodobenzoateSCHEMBL2365984VAYKANWZAJRNOM-UHFFFAOYSA-NTTB41875
Show more names
AKOS027427311SB306244-Bromo-2-iodobenzoic acid methyl esterCS-16618SY155447DB-343363CS-0101592EN300-135980
Database identifiers
- CAS
1093418-75-7- PubChem CID
- 58484707
- EC Number
- 961-426-9
- Nikkaji
- J2.660.483D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 50 ℃ · <50℃
- Boiling point
- 326.2 · 326.2±27.0 °C(Predicted)
- Density
- 2.059 · 2.059±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C8H6BrIO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
- InChIKey
- VAYKANWZAJRNOM-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(Br)C=C1I
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2916399090 · 2916399090
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, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers60 total
南京予善化工有限公司025-025-85281586 +86-18105181009
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
浙江光昊光电科技有限公司0576-84521666 13666863188 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
常州市马龙化工有限公司18651958646
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
泰安嘉岳生物化工有限公司15318151873 13561760680 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Yurui (Shanghai) Chemical Co., Ltd.+86-021-50456736 +8613331628239;+8619121032725 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
湖州澄博生物科技有限公司13626726938
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
河南创安光电科技有限公司61280670 13215992208 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
沁阳市创安化工科技有限公司61280670 15617977826
徐州砥研医药科技有限公司0516-0516-88997009 18651776937 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
Related reactions
6 records
Compound notes
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