Basic information
- CAS
95104-21-5- Standard SMILES
N#Cc1cc2ccccc2nc1Cl- InChIKey
UGTRDMPALMEDBU-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.01412584
Names & identifiers
- Preferred name
- 2-Chloroquinoline-3-carbonitrile
- IUPAC
- 2-chloroquinoline-3-carbonitrile
- English name
- 2-Chloro-3-cyanoquinoline
- Molecular formula
- C10H5ClN2
- Molecular weight
- 188.61
Names & synonyms
2-Chloroquinoline-3-carbonitrile95104-21-5DTXSID70468653RefChem:259571DTXCID60419472623-392-02-Chloro-3-cyanoquinolineMFCD084375663-Quinolinecarbonitrile, 2-chloro-VDA10421AKOS004121260AB45106
Show more names
AKOS BB-75662-Chloro-3-quinolinecarbonitrile3-Quinolinecarbonitrile,2-chloro-2-CHLORO-3-CYANOQUINOLINE ISO 9001：2015 REACH
2-Chloroquinoline-3-carbonitrile, 97%TS-02661CS-0070162FT-0740040SCHEMBL1514476UGTRDMPALMEDBU-UHFFFAOYSA-UGTRDMPALMEDBU-UHFFFAOYSA-NSY107077
Database identifiers
- CAS
95104-21-5- PubChem CID
- 11564601
- DTXSID
DTXSID70468653- EC Number
- 623-392-0
- Nikkaji
- J1.249.584F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 164 · 164-168 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H5ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H
- InChIKey
- UGTRDMPALMEDBU-UHFFFAOYSA-N
- SMILES
- C1C=C2C(N=C(Cl)C(C#N)=C2)=CC=1
- 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
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
- 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 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 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
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310+P330-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers46 total
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北迈特凯科技有限公司027-86643599 18140660632 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉贺景行生物科技有限公司18971200136
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
西安拓超生物科技有限公司02988764766 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
8 records
Compound notes
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