Basic information
- CAS
417721-69-8- Standard SMILES
Nc1nccc(Cl)c1I- InChIKey
BWMULFKDCVPGNF-UHFFFAOYSA-N- Molecular formula
- C5H4ClIN2
- Average molar mass
- 254.45 g/mol
- Monoisotopic mass
- 253.91077381
Names & identifiers
- Preferred name
- 4-Chloro-3-iodopyridin-2-amine
- IUPAC
- 4-chloro-3-iodopyridin-2-amine
- English name
- 4-CHLORO-3-IODO-PYRIDIN-2-YLAMINE
- Molecular formula
- C5H4ClIN2
- Molecular weight
- 254.46
Names & synonyms
4-chloro-3-iodopyridin-2-amine417721-69-8DTXSID30629107RefChem:291658DTXCID80579860690-936-12-AMINO-4-CHLORO-3-IODOPYRIDINE4-Chloro-3-iodo-pyridin-2-ylamineMFCD087415212-Pyridinamine, 4-chloro-3-iodo-SCHEMBL6250074-Chloro-3-iodo-2-pyridineamine
Show more names
4-Chloro-3-iodo-2-pyridinamine2-Amino-4-chloro-3-iodopyridine,96%4-Chloro-3-iodopyridin-2-amine 95+%4-CHLORO-3-IODO-PYRIDIN-2-YLAMINE ISO 9001：2015 REACH
4-Chloro-3-iodo-pyridin-2-amine4-chloro-3-ISCHEMBL303809394-chloro-3-iodo-2-pyridinylamineGEO-03750AKOS015894560CS-W005757GF-0718
Database identifiers
- CAS
417721-69-8- PubChem CID
- 22936596
- DTXSID
DTXSID30629107- EC Number
- 690-936-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 111 · 111-113℃
- Boiling point
- 319.8 · 319.8±42.0 °C(Predicted)
- Density
- 2.139 · 2.139±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.4 · 3.40±0.47(Predicted)
- form
- solid
- color
- Yellow
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C5H4ClIN2/c6-3-1-2-9-5(8)4(3)7/h1-2H,(H2,8,9)
- InChIKey
- BWMULFKDCVPGNF-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC(Cl)=C1I
- CAS DataBase Reference
- 417721 · 417721-69-8
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
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+H312+H332 (90.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
Aggregated GHS information provided per 43 reports by companies from 5 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
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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]
安特希（苏州）生物科技有限公司19951207836
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
43 records
Compound notes
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