Basic information
- CAS
42298-41-9- Standard SMILES
COc1ccc(I)cc1C=O- InChIKey
PIRKMHAREMCDPZ-UHFFFAOYSA-N- Molecular formula
- C8H7IO2
- Average molar mass
- 262.04 g/mol
- Monoisotopic mass
- 261.94908
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxybenzaldehyde
- IUPAC
- 5-iodo-2-methoxybenzaldehyde
- English name
- 5-IODO-2-METHOXYBENZALDEHYDE
- Molecular formula
- C8H7IO2
- Molecular weight
- 262.04
Names & synonyms
5-iodo-2-methoxybenzaldehydeDTXSID30294273RefChem:536340DTXCID80245412663-095-342298-41-92-Methoxy-5-iodobenzaldehydeMFCD04128999NCIOpen2_005942SCHEMBL37331455-Iodo-2-methoxybenzaldehyde, 97%GEO-04564
Show more names
AKOS B029007Benzaldehyde, 5-iodo-2-Methoxy-5-Iodo-2-methoxybenzaldehyde 97%
STK399819AKOS000313259AS-38025SY0837775-Iodo-2-methoxy-benzaldehydeNSC95686A6911FT-0639784
Database identifiers
- CAS
42298-41-9- PubChem CID
- 262240
- DTXSID
DTXSID30294273- EC Number
- 663-095-3
- Nikkaji
- J701.836C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 140 · 140-146℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Solid
- color
- White to off-white to yellow
- Sensitive
- Air & Light Sensitive
- InChI
- 1S/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
- InChIKey
- PIRKMHAREMCDPZ-UHFFFAOYSA-N
- SMILES
- COc1ccc(I)cc1C=O
- CAS DataBase Reference
- 42298 · 42298-41-9
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
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]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2913000090
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers44 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
陕西缔都医药化工有限公司
Related reactions
11 records
Compound notes
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