Basic information
- CAS
2905-68-2- Standard SMILES
COC(=O)c1ccc(Cl)c(Cl)c1- InChIKey
WICGATIORFSOJL-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- Benzoic acid, 3,4-dichloro-, methyl ester
- IUPAC
- methyl 3,4-dichlorobenzoate
- English name
- Methyl 3,4-dichlorobenzoate
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
2905-68-2Benzoic acid, 3,4-dichloro-, methyl esterDTXSID90183290RefChem:1079023DTXCID00105781Methyl 3,4-dichlorobenzoateMethyl 3,4-dichlorobenzenecarboxylateMFCD000181653,4-dichlorobenzoic acid methyl esterBenzoic acid,4-dichloro-, methyl esterAI3-22418Methyl3,4-dichlorobenzoate
Show more names
SCHEMBL5393044RARECHEM AL BF 0536SCHEMBL29822834NSC6980NSC 6980NSC-6980NSC216080SBB093406
Database identifiers
- CAS
2905-68-2- PubChem CID
- 76193
- DTXSID
DTXSID90183290- EC Number
- 681-721-3
- Nikkaji
- J45.882A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 44 °C · 44 °C
- Boiling point
- 248 °C · 248 °C
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 2905 · 2905-68-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 5 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers62 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
南京圣亿来化工有限公司19951936396 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
凯美赛尔生物医药有限公司020-13556033878 2965585218 13556033878 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海青航化工有限公司021-50840321, 18601625411 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
天津市嘉涵化工科技有限公司18920613223 86-22-58055669 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
新沂德米特生物科技有限公司16503038585 · [email protected]
爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
3 records
Compound notes
Loading…