Basic information
- CAS
19718-49-1- Standard SMILES
COC(=O)c1ccc(N)c(I)c1- InChIKey
MRLVFVTVXSKAMX-UHFFFAOYSA-N- Molecular formula
- C8H8INO2
- Average molar mass
- 277.06 g/mol
- Monoisotopic mass
- 276.9599765
Overview
Methyl 4-amino-3-iodobenzoate is a benzoate ester.
Names & identifiers
- Preferred name
- Methyl 4-amino-3-iodobenzoate
- IUPAC
- methyl 4-amino-3-iodobenzoate
- English name
- Methyl 4-amino-3-iodobenzoate
- Molecular formula
- C8H8INO2
- Molecular weight
- 277.06
Names & synonyms
Methyl 4-amino-3-iodobenzoate19718-49-1DTXSID40399364RefChem:816156DTXCID70350221629-066-4Benzoic acid, 4-amino-3-iodo-, methyl esterMethyl 4-amino-3-iodobenzozteMFCD00090423Methyl 3-iodo-4-aminobenzoate4-Amino-3-iodo-benzoic acid methyl esterMethyl 4-amino-3-iodo-benzoate
Show more names
Methyl 4-amino-3-Methyle4-amino-3-iodobenzoateMethyl 4-aMino-3-iodobenzoate 95% (GC)2-iodo-4-(methoxycarbonyl)aniline,methyl 4-amino-3-iodo-benzoate,4-methoxycarbonyl-2-iodoaniline,4-Amino-3-iodo-benzoic acid methyl ester
2-iodo-4-carbomethoxyaniline4-Amino-3-iodobenzoic acid methyl esterCHEBI:188522SY031862Methyl 4-amino-3-iodobenzoate, 95% (GC)Z1269124704Methyl4-amino-3-iodobenzoateBenzoic acid, 4
Database identifiers
- CAS
19718-49-1- PubChem CID
- 4104649
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 86 · 86-91 °C (lit.)
- Boiling point
- 369.6 · 369.6±32.0 °C(Predicted)
- Density
- 1.826 · 1.826±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 0.41 · 0.41±0.10(Predicted)
- form
- Crystalline Powder
- color
- Beige
- InChI
- InChI=1S/C8H8INO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
- InChIKey
- MRLVFVTVXSKAMX-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(N)C(I)=C1
- CAS DataBase Reference
- 19718 · 19718-49-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
36 records
Compound notes
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