Basic information
- CAS
89182-17-2- Standard SMILES
Nc1cnc(Cl)cc1N- InChIKey
OQRXBXNATIHDQO-UHFFFAOYSA-N- Molecular formula
- C5H6ClN3
- Average molar mass
- 143.57 g/mol
- Monoisotopic mass
- 143.0250249
Names & identifiers
- Preferred name
- 6-Chloropyridine-3,4-diamine
- IUPAC
- 6-chloropyridine-3,4-diamine
- English name
- 6-Chloro-3,4-pyridinediamine
- Molecular formula
- C5H6ClN3
- Molecular weight
- 143.57
Names & synonyms
89182-17-26-chloropyridine-3,4-diamineDTXSID70920468RefChem:541979DTXCID401349376688-433-76-chloro-3,4-pyridinediamine2-Chloro-4,5-diaminopyridine4,5-Diamino-2-chloropyridine6-Chloro-3,4-diaminopyridineMFCD04037269nucleoside phosphorylase
Show more names
oro-3,4-pyridinediamine6-Chloro-3,4-diaminepyridine6-Chloro-3,4-pyridinediaMine HCl
CS-W003135PB14373PS-5607SY0298093,4-DIAMINO-6-CHLOROPYRIDINE3,4-Pyridinediamine, 6-chloro-Phosphorylase, purinenucleoside6-chloro-pyridine-3,4-diamine
Database identifiers
- CAS
89182-17-2、9030-21-1- PubChem CID
- 817133
- DTXSID
DTXSID70920468- EC Number
- 688-433-7
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 409.3 · 409.3±40.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder
- pka
- 4.79 · 4.79±0.42(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C5H6ClN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
- InChIKey
- OQRXBXNATIHDQO-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=CC(N)=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers97 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
Related reactions
4 records
Compound notes
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