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5-Chloro-2-methylbenzimidazole

HCID 76063
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2818-69-1
Standard SMILES
Cc1nc2ccc(Cl)cc2[nH]1
InChIKey
NICFDLORAOTXMD-UHFFFAOYSA-N
Molecular formula
C8H7ClN2
Average molar mass
166.61 g/mol
Monoisotopic mass
166.0297759

Overview

5-chloro-2-methyl-1h-benzimidazole appears as light brown solid or fluffy powder. (NTP, 1992)

Names & identifiers

Preferred name
5-Chloro-2-methylbenzimidazole
IUPAC
6-chloro-2-methyl-1H-benzimidazole
English name
5-Chloro-2-methylbenzimidazole
Molecular formula
C8H7ClN2
Molecular weight
166.61

Names & synonyms

5-Chloro-2-methylbenzimidazole5-Chloro-2-methyl-1H-benzimidazole1H-Benzimidazole, 6-chloro-2-methyl-DTXSID8024787EINECS 220-575-3NSC 60139UNII-XV988Z010HXV988Z010HNSC-601395-Chloro-2-methyl-1H-benzoimidazoleDTXCID004787CHLORO-2-METHYL-1H-BENZIMIDAZOLE, 5-
Show more names
6-CHLORO-2-METHYL-1H-BENZO[D]IMIDAZOLE5-chloro-2-methyl-1h-benzimidazolBenzimidazole, 5-chloro-2-methyl-2-Methyl-6-chloro-1H-benzimidazole2-Methyl-5-chloro-1H-benzimidazole5(6)-chloro 2-Methyl benziMidazole
RosalinRefChem:102319BENZIMIDAZOLE, 6-CHLORO-2-METHYL-NICFDLORAOTXMD-UHFFFAOYSA-N2818-69-15-chloro-2-methyl-1H-benzo[d]imidazole2-Methyl-5-chlorobenzimidazole6-chloro-2-methyl-1H-benzimidazole

Database identifiers

CAS
2818-69-1
PubChem CID
76063
DTXSID
DTXSID8024787
ChEMBL
CHEMBL72244
UNII
XV988Z010H
EC Number
220-575-3
Nikkaji
J100.271F

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
28.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
151

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)
Melting Point387 °F (NTP, 1992)
Physical Description5-chloro-2-methyl-1h-benzimidazole appears as light brown solid or fluffy powder. (NTP, 1992)

Physicochemical properties

Melting point
197 °C · 197°C
Boiling point
374.7 · 374.7±15.0 °C(Predicted)
Density
1.351 · 1.351±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal
pka
10.57 · 10.57±0.10(Predicted)
color
Light yellow to Yellow to Orange
Water Solubility
0.1 g/100 · <0.1 g/100 mL at 21.5 ºC
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
CAS DataBase Reference
2818 · 2818-69-1(CAS DataBase Reference)
FDA UNII
988 Z010H · XV988Z010H
EPA Substance Registry System
5 · 5-Chloro-2-methylbenzimidazole (2818-69-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319
Precautionary statements
264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
TSCA
TSCA listed
HS Code
2933998090 · 2933998090

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 · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

tsca
TSCA listed
hs_code
2933998090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36/37/39
Hazard statements
H302-H315-H319
Precautionary statements
P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Benzimidazole, 6-chloro-2-methyl-: INACTIVE

Applications

General DescriptionLight brown solid or fluffy powder.

Suppliers66 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
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]
山东李比希生物医药科技有限公司17866677155 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [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]
陕西麟邦实业有限公司17709134430 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]

Related reactions

2 records
New reaction record
HRID 1061557 reaction equation
HRID 1061557As reactantuspto-grants-2005_11
HRID 2099856 reaction equation
HRID 2099856As reactantuspto-grants-2009_08

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes