Basic information
- Standard SMILES
O=[N+]([O-])c1cnccc1Cl- InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N- Molecular formula
- C5H3ClN2O2
- Average molar mass
- 158.54 g/mol
- Monoisotopic mass
- 157.988305
Names & identifiers
- Preferred name
- 4-Chloro-3-nitropyridine
- IUPAC
- 4-chloro-3-nitropyridine
- English name
- 4-Chloro-3-nitropyridine
- Molecular formula
- C5H3ClN2O2
- Molecular weight
- 158.54
Names & synonyms
4-Chloro-3-nitropyridine13091-23-1Pyridine, 4-chloro-3-nitro-DTXSID90370941RefChem:98452DTXCID10321975603-447-5JOTRPRKONYTVBV-UHFFFAOYSA-N3-nitro-4-chloropyridine4-Chloro-3-nitro-pyridineMFCD026830253-nitro-4-chloro-pyridine
Show more names
4-Chlor-3-nitro-pyridin4-CHLORO-3-NITROPYRIDINE 98%4-chloro-3-nitropyridine, 97%,4-Chloro-3-nitropyridine, tech.4-Chloro-3-nitropyridine ISO 9001：2015 REACH4-CHLORO-3-NITROPYRIDINE 4-CHLORO-3-NITROPYRIDINE
4-chloro-3-nitro pyridine4Chloro-3-nitropyridineVX2ZU89YBD3-Nitro-4-Chloro pyridineSCHEMBL56332SCHEMBL1499409SCHEMBL17113878SCHEMBL30258234
Database identifiers
- CAS
13091-23-1- PubChem CID
- 2735781
- DTXSID
DTXSID90370941- UNII
- VX2ZU89YBD
- EC Number
- 603-447-5
- Nikkaji
- J1.074.889E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 35 · 35-50 °C
- Boiling point
- 95 °C · 95 °C(Press: 5 Torr)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.56 · 0.56±0.10(Predicted)
- form
- Crystalline Powder
- color
- Pale yellow
- Water Solubility
- Insoluble in water.
- InChI
- InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
- InChIKey
- JOTRPRKONYTVBV-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(Cl)=C1[N+]([O-])=O
- CAS DataBase Reference
- 13091 · 13091-23-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-41-22
- Safety Statements
- 26 · 26-36/37/39-36/39-37/38-36
- RIDADR
- 2811 · UN 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, KEEP COLD
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 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. 3 (89.4%)；Eye Dam. 1 (89.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/39-37/38-36
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310+P330-P305+P351+P338+P310
Chemistry & industry
Applications
Uses4-Chloro-3-nitropyridine (cas# 13091-23-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
山东中科泰斗化学有限公司0531-88682301 18595278760 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
石家庄速晨生物科技有限公司186-33933494 18032288352
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Clearsynth Labs Limited+91-22-26355700 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
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