Basic information
- Standard SMILES
Clc1ncnc2ccccc12- InChIKey
GVRRXASZZAKBMN-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2
- Average molar mass
- 164.59 g/mol
- Monoisotopic mass
- 164.01412584
Names & identifiers
- Preferred name
- 4-Chloroquinazoline
- IUPAC
- 4-chloroquinazoline
- English name
- 4-Chloroquinazoline
- Molecular formula
- C8H5ClN2
- Molecular weight
- 164.59
Names & synonyms
4-ChloroquinazolineQuinazoline, 4-chloro-NSC 53480DTXSID40199866RefChem:98620Quinazoline, 4-chloro-(8CI)DTXCID00122357Quinazoline, 4-chloro-(8CI)(9CI)625-876-7GVRRXASZZAKBMN-UHFFFAOYSA-N5190-68-14-Chloro-quinazoline
Show more names
AKOS BBS-000045614-Chloro-quizoline4-Chloroquinozoline4-Chloroquinazoline 97%
MFCD002286824-Chloro quinazoline4-Chloroquinazoline, 97%Quinazoline, 4-chloro- (8CI)(9CI)SCHEMBL25620CHEMBL2172707BDBM50396785STK502714
Database identifiers
- CAS
5190-68-1- PubChem CID
- 78864
- DTXSID
DTXSID40199866- ChEMBL
CHEMBL2172707- EC Number
- 625-876-7
- Nikkaji
- J101.523K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 96 · 96-100 °C
- Boiling point
- 281 · 281.0±13.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- MeOH
- form
- Solid
- pka
- 0.83 · 0.83±0.30(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
- InChIKey
- GVRRXASZZAKBMN-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC=C2)=C(Cl)N=C1
- CAS DataBase Reference
- 5190 · 5190-68-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25-37/38-41
- Safety Statements
- 26 · 26-39-45
- RIDADR
- 2811 · UN 2811
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
- 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. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 2933998090
- risk_code
- 25-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,T
- safety_code
- 26-39-45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses4-Chloroquinazoline can be used to prepare agricultural fungicides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [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]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
杭州鼎欣生物科技有限公司0571-88194596 15558156576 · [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]
武汉泰易成生化药业有限公司027-88320699 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
上海翱跃化工科技有限公司021-021-64367138 15900495324 · [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]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
常州琦诺生物科技有限公司0519-0519-83812535 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海蒙佳纳化工有限公司+86-21-38682181 15900741819
忻州市卤化科技股份有限责任公司86-0350 3026661 13935073081
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海拓目化工有限公司13391076197 · [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]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
常州安科尔生物科技有限公司0519-85519868 18915088878
上海百韧生物科技有限公司13564638271 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
Related reactions
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