Basic information
- Standard SMILES
O=Cc1cccc(Cl)c1- InChIKey
SRWILAKSARHZPR-UHFFFAOYSA-N- Molecular formula
- C7H5ClO
- Average molar mass
- 140.56 g/mol
- Monoisotopic mass
- 140.00289246
Names & identifiers
- Preferred name
- 3-Chlorobenzaldehyde
- IUPAC
- 3-chlorobenzaldehyde
- English name
- 3-Chlorobenzaldehyde
- Molecular formula
- C7H5ClO
- Molecular weight
- 140.57
Names & synonyms
3-CHLOROBENZALDEHYDEBenzaldehyde, 3-chloro-m-Chlorobenzenecarboxaldehydemeta-ChlorobenzaldehydeQPX6TA6X3RCCRIS 86133-CHLOROPHENYLCARBOXALDEHYDEEINECS 209-596-9NSC 60107NSC-60107AI3-10532DTXSID1074591
Show more names
MCADACAD1MCADHAKOS BBS-000031583-ChlorbenzaldehydChlorobenzaldehyde-33-Chlorobenzaldehyde98%
RefChem:93503Benzaldehyde, 3-chloro-(9CI)DTXCID0042458209-596-9InChI=1/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5SRWILAKSARHZPR-UHFFFAOYSA-N587-04-2m-Chlorobenzaldehyde
Database identifiers
- CAS
587-04-2- PubChem CID
- 11477
- DTXSID
DTXSID1074591- ChEMBL
CHEMBL4567544- UNII
- QPX6TA6X3R
- EC Number
- 209-596-9
- Nikkaji
- J96.205H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.26
Physicochemical properties
- Melting point
- 9 · 9-12 °C (lit.)
- Boiling point
- 213 · 213-214 °C (lit.)
- Density
- 1.241 g/mL · 1.241 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.563(lit.)
- Flash point
- 191 °F · 191 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Liquid
- Specific Gravity
- 1.235 · 1.235
- color
- Clear colorless to light yellow
- Water Solubility
- insoluble
- Sensitive
- Air Sensitive
- BRN
- 507098 · 507098
- InChI
- 1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H
- InChIKey
- SRWILAKSARHZPR-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1cccc(Cl)c1
- CAS DataBase Reference
- 587 · 587-04-2(CAS DataBase Reference)
- FDA UNII
- 6 TA6X3R · QPX6TA6X3R
- NIST Chemistry Reference
- 3 · Benzaldehyde, 3-chloro-(587-04-2)
- EPA Substance Registry System
- 3 · Benzaldehyde, 3-chloro- (587-04-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 2810 · 2810
- WGK Germany
- 2 · 2
- F
- 1 · 1-9
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29130000 · 29130000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 3-chloro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Chlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 1-9
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 3-chloro-: ACTIVE
Applications
Uses3-Chlorobenzaldehyde, is used as a medicine, dye intermediates and speciality chemicals. It is mainly used to produce medicine material and intermediate, chloral alcoholate and intermediate of acid mordant azurine-6B on dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [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]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [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]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
张家港保税区凯利特化工有限公司18606289633 15862625988 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [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
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
安徽科迪达化工有限公司0554-2106669 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
Related reactions
365 records
Linked notes
Loading…