2-(Hydroxymethyl)-1H-benzimidazole (HCID 78569)

이름 및 식별자

우선 이름: 2-(Hydroxymethyl)-1H-benzimidazole
IUPAC: 1H-benzimidazol-2-ylmethanol
현지명: 1H-벤즈이미다졸-2-메탄올
영어명: 1H-Benzimidazole-2-methanol
분자식: C8H8N2O
분자량: 148.16

이름 및 동의어

4856-97-71H-Benzimidazole-2-methanol2-(Hydroxymethyl)-1H-benzimidazoleAI3-61986EINECS 225-451-2DTXSID70197552NSC 18284RefChem:461049DTXCID30120043225-451-2(1H-Benzoimidazol-2-yl)methanol1H-benzimidazol-2-ylmethanol

이름 더 보기

1H-벤즈이미다졸-2-메탄올Compound Fr13702IFLAB-BB F0266-0027TIMTEC-BB SBB0040852-HYDROXYBENXIMIDAZOLEBENZIMIDAZOLE-2-METHANOL(2-Benzimidazolyl)methanol1H-benzimidazol-2-methanol

2-Benzimidazolemethanol(1H-benzo[d]imidazol-2-yl)methanol2-(Hydroxymethyl)benzimidazole2-Hydroxymethyl-BenzoimidazoleMFCD00014560(1H-1,3-benzodiazol-2-yl)methanol2-Hydroxymethylbenzimidazole9SZ34H8DY7

데이터베이스 식별자

CAS: 4856-97-7
PubChem CID: 78569
DTXSID: DTXSID70197552
ChEMBL: CHEMBL71443
UNII: 9SZ34H8DY7
EC Number: 225-451-2
Nikkaji: J68.955F

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 48.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 171 · 171-175 °C (lit.)
끓는 점: 268.75 °C · 268.75°C (rough estimate)
밀도: 1.1828 · 1.1828 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 11.57 · 11.57±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 황백색부터 연한 갈색까지
InChI: InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKey: IAJLTMBBAVVMQO-UHFFFAOYSA-N
SMILES: C1(CO)NC2=CC=CC=C2N=1

화학적 성질

Off-white to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: 1H-Benzimidazole-2-methanol

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)；Acute Tox. 4 (93.2%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (93.2%)；STOT SE 3 (97.7%)

규제 정보

Regulatory InformationChemical: 1H-Benzimidazole-2-methanol

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Benzimidazolemethanol was used in the preparation of 2-(chloromethyl)-1-(methylsulfonyl)benzimidazole via methanesulfonylation. It was also used in the synthesis of 1H-benzimidazol-2-ylmethyl diethyl phosphate.